Sugi Predict

Sugi Predict / Compounds / SCHEMBL9007760

SCHEMBL9007760

SCHEMBL9007760

COc1ccccc1OC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(CC(C)C)C[C@H](O)C(=O)Oc1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 9/20 0.66
▸ ACE P12821 7/20 0.66
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR5 Q9H1C0 1/20 0.43
▸ ITGA4 P13612 3/20 0.43
▸ ITGB7 P26010 3/20 0.43
▸ ITGB1 P05556 2/20 0.43
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41

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
SCHEMBL9007758 1.00 MME (0.66) MMEACELPAR1LPAR5ITGA4
SCHEMBL8027670 0.96 MME (0.73) MMEACELPAR1LPAR5ITGA4
SCHEMBL8027674 0.96 MME (0.73) MMEACELPAR1LPAR5ITGA4
SCHEMBL8452763 0.96 MME (0.73) MMEACELPAR1LPAR5ITGA4
SCHEMBL8017298 0.95 MME (0.74) MMEACELPAR1ITGA4ITGB7
SCHEMBL27504886 0.95 MME (0.74) MMEACELPAR1ITGA4ITGB7
SCHEMBL8017294 0.95 MME (0.74) MMEACELPAR1ITGA4ITGB7
SCHEMBL27463257 0.95 MME (0.58) MMEACELPAR1LPAR5
SCHEMBL27440151 0.94 MME (0.61) MMEACELPAR1LPAR5ITGA4
SCHEMBL27543304 0.92 MME (0.58) MMEACELPAR1LPAR5HDAC1

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
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 — — EP disclosed