SCHEMBL28118326

SCHEMBL28118326

Nc1cccc(C(=O)O)c1O.[CaH2]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.96
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALB P02768 1/20 0.55
G6PD P11413 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
HNF4A P41235 1/20 0.52
HMGB1 P09429 2/20 0.52
ALOX15 P16050 1/20 0.48
NAPRT Q6XQN6 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29547161 0.98 MMP2 (1.00) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL204392 0.98 MMP2 (1.00) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27725387 0.96 MMP2 (0.96) MMP2KDM4EALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL1224587 0.96 MMP2 (0.96) MMP2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5110306 0.96 MMP2 (0.96) MMP2KDM4EALDH1A1HPGDHSD17B10
2,3-Dihydroxybenzoic Acid SCHEMBL1923344 0.86 MMP2 (0.78) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11033943 0.84 MMP2 (0.75) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8219439 0.82 MMP2 (0.71) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL720049 0.82 MMP2 (0.72) MMP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL110532 0.81 ALDH1A1 (0.70) MMP2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106586-A Skin barrier function improver and skin barrier function improvement composition 昭和电工株式会社 2017-08-29 CN disclosed
CN-107072916-A Moisture-retaining agent 昭和电工株式会社 2017-08-18 CN disclosed
CN-106572957-A Skin color-improving agent and composition for improving skin color 昭和电工株式会社 2017-04-19 CN disclosed