SCHEMBL6164475

SCHEMBL6164475

C[C](C)CCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALOX5 P09917 3/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
ADRA1A P35348 2/20 0.54
SLC6A3 Q01959 2/20 0.54
HDAC3 O15379 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC4 P56524 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAOA P21397 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8108303 0.98 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7864099 0.98 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8123200 0.98 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1478009 0.93 HDAC1 (0.61) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2162299 0.84 MAPT (0.59) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL16274 0.83 ALDH1A1 (0.67) MAPTHDAC1HDAC2ADRA1ASLC6A3
SCHEMBL3456971 0.83 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1105483 0.83 ALDH1A1 (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11210743 0.83 MAPT (0.62) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2162467 0.83 MAPT (0.62) MAPTRXFP1ALOX5HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1186861-A None JP disclosed
EP-1129070-A4 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-03-02 EP disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
EP-1129070-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-05 EP disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1105130-A2 HETEROCYCLIC ESTERS OR AMIDES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
EP-1085853-A1 HETEROCYCLIC ESTER AND AMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-28 EP disclosed
EP-0934287-A4 HETEROCYCLIC ESTERS AND AMIDES GUILFORD PHARM INC (US) 2000-01-12 EP disclosed
WO-1999062487-A1 HETEROCYCLIC ESTER AND AMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
EP-0934287-A1 HETEROCYCLIC ESTERS AND AMIDES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
US-5801187-A AFFINITY FOR FKBP-TYPE IMMUNOPHILINS GPI-NIL HOLDINGS, INC. (US) 1998-09-01 US disclosed
WO-1998013355-A1 HETEROCYCLIC ESTERS AND AMIDES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed
JP-H01186861-A PEROXY ESTER COMPOUND, PRODUCTION THEREOF AND TEST COMPOSITION AND TEST TOOL USING SAID COMPOUND TERUMO CORP 1989-07-26 JP disclosed