SCHEMBL20022590

SCHEMBL20022590

CC#Cc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.63
RARG P13631 6/20 0.63
PTPN11 Q06124 1/20 0.55
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
RARA P10276 3/20 0.51
CYP26A1 O43174 1/20 0.51
CYP3A4 P08684 1/20 0.51
CRABP2 P29373 1/20 0.51
ACACB O00763 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRD5A2 P31213 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL13814902 0.98 RARB (0.60) RARBRARGPTPN11TSHRTP53
SCHEMBL15014360 0.92 CYP1A1 (0.61) RARBRARGPTPN11TSHRTP53
SCHEMBL29789030 0.89 RARB (0.69) RARBRARGPTPN11TSHRTP53
SCHEMBL69572 0.89 RARB (0.69) RARBRARGPTPN11TSHRTP53
Hydrochloric Acid SCHEMBL5666955 0.86 RARB (0.67) RARBRARGPTPN11TSHRTP53
SCHEMBL15960257 0.83 RARB (0.63) RARBRARGPTPN11TSHRTP53
SCHEMBL254959 0.83 APP (0.61) RARBRARGPTPN11TSHRTP53
SCHEMBL20022591 0.83 ALDH1A1 (0.74) RARBRARGPTPN11TSHRTP53
SCHEMBL402518 0.82 RARB (0.62) RARBRARGPTPN11TSHRTP53
SCHEMBL19433669 0.82 RARB (0.62) RARBRARGPTPN11TSHRTP53

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-20180093251-A1 POROUS COORDINATION POLYMER AND GAS STORAGE USING THE SAME PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2018-04-05 US disclosed