SCHEMBL6606474

SCHEMBL6606474

CCCCCCCCC(CCCCC)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
SPHK1 Q9NYA1 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 2/20 0.46
DNM1 Q05193 2/20 0.46
CYP2D6 P10635 2/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL28202256 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL11333881 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL28291438 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
Ammonia Solution, Strong SCHEMBL6405192 0.97 OPRM1 (0.48) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL4800234 0.95 OPRM1 (0.46) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL31342802 0.92 OPRM1 (0.44) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL11496797 0.92 OPRM1 (0.48) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL11491167 0.89 OPRM1 (0.46) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL7090425 0.89 OPRM1 (0.46) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9206614 0.89 OPRM1 (0.46) OPRM1TSHRTHRBGPR84SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed