SCHEMBL28903643

SCHEMBL28903643

CCCCCCCCCCCCOCC(CCCCCCCC)OCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.57
LPAR3 Q9UBY5 7/20 0.57
LPAR2 Q9HBW0 4/20 0.57
DNM1 Q05193 1/20 0.53
TLR2 O60603 6/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.48
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCI P41743 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
LPAR6 P43657 3/20 0.46
LPAR4 Q99677 3/20 0.46

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
SCHEMBL21060708 0.98 LPAR1 (0.56) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL27240017 0.96 LPAR1 (0.53) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL7723823 0.96 LPAR1 (0.53) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL19257792 0.94 LPAR1 (0.59) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL16479537 0.92 LPAR1 (0.54) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL31588348 0.91 LPAR1 (0.50) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL19322677 0.90 LPAR1 (0.56) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL19322750 0.90 LPAR1 (0.56) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL19322675 0.90 LPAR1 (0.56) LPAR1LPAR3LPAR2DNM1TLR2
SCHEMBL4204833 0.89 LPAR1 (0.68) LPAR1LPAR3LPAR2DNM1TLR2

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
CN-107847479-B Formulations for the treatment of acne 阿克苏诺贝尔化学品国际有限公司 2020-11-20 CN disclosed