SCHEMBL11677514

SCHEMBL11677514

CC(Cl)CCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCC(C)Cl)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HSD17B1 P14061 1/20 0.46
▸ SRD5A2 P31213 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ DRD2 P14416 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37

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
SCHEMBL11863346 0.84 OPRK1 (0.36) MAPTRAB9ANPC1KDM4EDRD2
SCHEMBL11797647 0.84 HPGD (0.41) KDM4ECTNNB1WNT3ACYP3A4ALDH1A1
SCHEMBL11753618 0.78 KDM4E (0.36) MAPTRAB9ANPC1HSD17B1KDM4E
SCHEMBL11679519 0.78 MAPT (0.49) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679975 0.77 KDM4E (0.52) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679201 0.77 RAB9A (0.51) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679626 0.76 MAPT (0.58) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL2938985 0.76 RAB9A (0.58) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11677470 0.76 RAB9A (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11677849 0.76 L3MBTL1 (0.56) MAPTRAB9ANPC1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
Send feedback