SCHEMBL11679519

SCHEMBL11679519

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HSD17B1 P14061 1/20 0.43
▸ SRD5A2 P31213 2/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL11677033 0.92 MAPT (0.42) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679201 0.88 RAB9A (0.51) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11675968 0.79 L3MBTL1 (0.58) MAPTRAB9ANPC1KMT2AKDM4E
SCHEMBL11677514 0.78 MAPT (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679626 0.76 MAPT (0.58) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11678574 0.76 KDM4E (0.54) MAPTRAB9ANPC1KMT2AKCNH2
SCHEMBL11552117 0.75 TTR (0.38) RAB9ANPC1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31070035 0.75 MAPT (0.50) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11677470 0.75 RAB9A (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11678805 0.74 L3MBTL1 (0.54) MAPTRAB9ANPC1HSD17B1SRD5A2

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
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