SCHEMBL7685642

SCHEMBL7685642

CONC(=O)[C@H](CCC(C)(C)F)C[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.42
TSHR P16473 1/20 0.35
MMP1 P03956 2/20 0.33
MMP13 P45452 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CTRB1 P17538 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL4058724 0.91 CCR1 (0.35) CCR1TSHRMMP1MMP13METAP2
SCHEMBL27540607 0.89 CCR1 (0.52) CCR1MMP1MMP13METAP2METAP1
SCHEMBL27565233 0.82 CCR1 (0.38) CCR1
SCHEMBL4058726 0.80 CCR1 (0.50) CCR1CTRB1
SCHEMBL4064042 0.80 CCR1 (0.43) CCR1MMP1MMP13METAP2METAP1
SCHEMBL6169667 0.80 CCR1 (0.43) CCR1MMP1MMP13METAP2METAP1
SCHEMBL6832277 0.80 CCR1 (0.41) CCR1TSHR
SCHEMBL4064274 0.80 CCR1 (0.41) CCR1TSHR
SCHEMBL4066973 0.79 HPGD (0.35) CCR1KDM4E
SCHEMBL2675794 0.78 CCR1 (0.40) CCR1TSHRMMP1MMP2MMP3

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-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed