SCHEMBL9817680

SCHEMBL9817680

CC1(C(=O)Nc2ccccc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.52
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL3429238 0.84 MAPT (0.57) LMNAPOLBMAPTALDH1A1RAB9A
SCHEMBL2112338 0.80 NPC1 (0.56) LMNAPOLBMAPTKMT2AALDH1A1
SCHEMBL2112336 0.80 NPC1 (0.56) LMNAPOLBMAPTKMT2AALDH1A1
SCHEMBL8052548 0.77 LMNA (0.48) LMNANAPRTHSD17B10POLBMAPT
SCHEMBL1522066 0.77 NAPRT (0.52) LMNANAPRTHSD17B10POLBMAPT
SCHEMBL10690558 0.75 NAPRT (0.46) LMNANAPRTHSD17B10POLBMAPT
SCHEMBL10687685 0.75 APEX1 (0.55) LMNAMAPTKMT2AMEN1GAA
SCHEMBL14817483 0.74 NAPRT (0.53) LMNANAPRTHSD17B10POLBMAPT
SCHEMBL22110225 0.74 FAAH (0.50) LMNANAPRTHSD17B10POLBMAPT
SCHEMBL10272322 0.73 CETP (0.54) LMNANAPRTHSD17B10POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253503-B1 SUBSTITUTED ANILIDES HAVING ANTIANDROGENIC PROPERTIES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-11 EP disclosed
EP-0100172-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed
US-4636505-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP disclosed