SCHEMBL7975157

SCHEMBL7975157

CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCS3(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
ALPL P05186 1/20 0.36
MAPT P10636 2/20 0.36
CCR5 P51681 8/20 0.35
PLA2G2A P14555 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CCR7 P32248 1/20 0.33
CCR2 P41597 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7934085 0.94 PLA2G2A (0.39) ALPLMAPTPLA2G2AKDM4EPOLB
SCHEMBL7968606 0.93 MAPT (0.36) RARBRARAALPLMAPTCCR5
SCHEMBL7928473 0.92 ALPL (0.43) RARBRARAALPLMAPTPLA2G2A
SCHEMBL7249525 0.91 RARB (0.39) RARBRARACCR5LMNARAB9A
SCHEMBL7216131 0.90 MAPT (0.36) RARBRARAALPLMAPTKDM4E
SCHEMBL7247416 0.90 RARB (0.46) RARBRARACCR5KDM4ELMNA
SCHEMBL7922057 0.88 MAPT (0.42) MAPTCCR5KDM4ERAB9A
SCHEMBL7215817 0.88 NPC1 (0.38) MAPTKDM4ELMNARAB9A
SCHEMBL7218022 0.86 ACACB (0.38) MAPTKDM4ELMNARAB9A
SCHEMBL7958575 0.85 RARB (0.53) RARBRARACCR5CCR7CCR2

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed