SCHEMBL8112968

SCHEMBL8112968

CC(C)Cc1ccc(/C=C/c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM1 P11229 1/20 0.49
PDE4A P27815 1/20 0.49
FAAH O00519 2/20 0.45
CXCR1 P25024 4/20 0.45
CXCR2 P25025 4/20 0.45
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
ALOX5 P09917 2/20 0.45
ALB P02768 1/20 0.45

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
SCHEMBL8127426 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1966513 0.89 CXCR1 (0.53) CHRM1PDE4AFAAHCXCR1CXCR2
SCHEMBL8121698 0.85 TTR (0.46) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8121695 0.85 TTR (0.46) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8114190 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8114187 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9576148 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7185145 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7185147 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4355522 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP disclosed