SCHEMBL11208669

SCHEMBL11208669

CC(=O)SCC(CC(C)C)C(=O)NCCCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.47
PRMT1 Q99873 1/20 0.42
MAPK1 P28482 1/20 0.40
PLA2G10 O15496 2/20 0.39
MMP8 P22894 1/20 0.39
PLA2G2A P14555 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MME P08473 1/20 0.37
TLR2 O60603 2/20 0.37
KISS1R Q969F8 1/20 0.37
MMP1 P03956 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL11442611 1.00 ADRA1A (0.47) ADRA1APRMT1MAPK1PLA2G10MMP8
SCHEMBL11210981 0.99 ADRA1A (0.45) ADRA1APRMT1MAPK1PLA2G10MMP8
SCHEMBL11209304 0.89 MMP8 (0.39) ADRA1AMAPK1MMP8CPB2MME
SCHEMBL9069306 0.89 ECE1 (0.43) MMEKISS1R
SCHEMBL10916522 0.86 CYP1A2 (0.37) ADRA1APLA2G10MMEKISS1REPHX2
SCHEMBL11268857 0.81 KISS1R (0.37) MAPK1MMP8CPB2MMEKISS1R
SCHEMBL11210460 0.80 ADRA1A (0.49) ADRA1APRMT1MAPK1PLA2G10MMP8
SCHEMBL11268863 0.80 CAPN1 (0.36) MAPK1MMP8CPB2MMEKISS1R
SCHEMBL7274410 0.79 CYP1A2 (0.58) MME
SCHEMBL7273819 0.79 CYP1A2 (0.58) MME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021766-B1 INHIBITORS OF MAMMALIAN COLLAGENASE E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed
US-4297275-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1981-10-27 US disclosed
EP-0021766-A2 Inhibitors of mammalian collagenase E.R. Squibb & Sons, Inc. (US) 1981-01-07 EP disclosed
US-4235885-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1980-11-25 US disclosed