SCHEMBL7931129

SCHEMBL7931129

CC(C)(CCl)COC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6471479 0.86 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL21572802 0.84 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2206330 0.82 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL20927210 0.82 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL938098 0.82 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4713156 0.82 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL17674778 0.81 MEN1 (0.35) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15457456 0.81 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL13054012 0.81 MEN1 (0.33) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3951259 0.80 KMT2A (0.36) MEN1KMT2AKDM4CNPC1RAB9A

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-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed