SCHEMBL11677033

SCHEMBL11677033

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HSD17B1 P14061 1/20 0.38
▸ SRD5A2 P31213 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 1/20 0.32

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
SCHEMBL11679519 0.92 MAPT (0.49) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679201 0.82 RAB9A (0.51) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11675968 0.76 L3MBTL1 (0.58) MAPTRAB9ANPC1KMT2AKDM4E
SCHEMBL11869257 0.76 PTGS2 (0.36) MAPTRAB9ANPC1HSD17B1KDM4E
SCHEMBL11800787 0.76 ABCC4 (0.35) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL11677514 0.72 MAPT (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11679626 0.70 MAPT (0.58) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11678574 0.70 KDM4E (0.54) MAPTRAB9ANPC1KMT2AKDM4E
Hydrochloric Acid SCHEMBL31070035 0.70 MAPT (0.50) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL11552117 0.70 TTR (0.38) RAB9ANPC1KMT2AKDM4EALDH1A1

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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