SCHEMBL6568512

SCHEMBL6568512

COc1ccc(C(CCCc2ccccc2)Cc2cc[c]cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
SIGMAR1 Q99720 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL26152583 0.83 ALDH1A1 (0.75) ALDH1A1SIGMAR1L3MBTL1TDP1TSHR
SCHEMBL8091443 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1PBRM1KDM4E
SCHEMBL7376590 0.80 ALDH1A1 (0.54) ALDH1A1SIGMAR1L3MBTL1TDP1TSHR
SCHEMBL8810544 0.79 ALDH1A1 (0.54) ALDH1A1SIGMAR1L3MBTL1TDP1KMT2A
SCHEMBL19210357 0.76 ALDH1A1 (0.73) ALDH1A1SIGMAR1L3MBTL1TDP1TSHR
SCHEMBL11189104 0.76 SIGMAR1 (0.50) ALDH1A1SIGMAR1L3MBTL1TDP1TSHR
SCHEMBL6570932 0.76 CYP19A1 (0.46) SIGMAR1
SCHEMBL10437920 0.75 CYP19A1 (0.43) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7452361 0.75 ALDH1A1 (0.56) ALDH1A1SIGMAR1L3MBTL1TDP1TSHR
SCHEMBL9857051 0.74 ALDH1A1 (0.69) ALDH1A1SIGMAR1L3MBTL1PPARGPPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed