SCHEMBL11558997

SCHEMBL11558997

CCCc1cc(C(=O)O)cc(C(C)=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ PRKCI P41743 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ GRM2 Q14416 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL28503260 0.86 ALDH1A1 (0.58) ALDH1A1PRKCIPTPN1PTPN11RXRA
SCHEMBL9376210 0.81 PTPN1 (0.50) ALDH1A1PRKCIPTPN1PTPN11CA5A
SCHEMBL10487676 0.78 ALDH1A1 (0.46) ALDH1A1PRKCIPTPN1PTPN11RXRA
SCHEMBL10690373 0.76 MEN1 (0.53) PRKCIGRM2LMNAMAPTMEN1
SCHEMBL25619130 0.75 GABRA1 (0.45) ALDH1A1PTPN1PTPN11CA12CA1
SCHEMBL3547229 0.75 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL6067636 0.75 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL27787365 0.74 TPMT (0.46) ALDH1A1PTPN1PTPN11RXRACA12
SCHEMBL40166 0.74 PTPN1 (0.59) ALDH1A1PRKCIPTPN1PTPN11HPGD
SCHEMBL7648311 0.73 PPARG (0.41) PRKCIGRM2CA9LMNAMAPT

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
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US disclosed
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