SCHEMBL7590034

SCHEMBL7590034

CCC(SCc1ccco1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
TSHR P16473 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 6/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.39
POLB P06746 3/20 0.38
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10528046 0.88 TSHR (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7591422 0.82 ALDH1A1 (0.36) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7589709 0.81 ALDH1A1 (0.47) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7591418 0.77 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL25385023 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8580217 0.76 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3504630 0.75 ALDH1A1 (0.45) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7592515 0.75 TSHR (0.42) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL28568509 0.75 POLB (0.58) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5870236 0.75 TSHR (0.43) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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-0811618-B1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 2002-10-23 EP claimed
US-6153770-A ORGANOLEPTIC COMPOUNDS FOR FOOD AROMAS HAARMANN & REIMER (DE) 2000-11-28 US claimed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP claimed
EP-0811618-B1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 2002-10-23 EP disclosed
US-6153770-A ORGANOLEPTIC COMPOUNDS FOR FOOD AROMAS HAARMANN & REIMER (DE) 2000-11-28 US disclosed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP disclosed