SCHEMBL20102180

SCHEMBL20102180

CCCc1cc(Oc2cc(CC)c(O)c(CCC)c2)cc(CC)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HMGCR P04035 1/20 0.40
PTPN1 P18031 4/20 0.39
PTPN11 Q06124 3/20 0.39
PTPN2 P17706 1/20 0.39
MAOA P21397 1/20 0.37
PRKCI P41743 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5 P09917 4/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PTGS2 P35354 3/20 0.34
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.34

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
SCHEMBL5017375 0.89 GABRA1 (0.48) DHFRGABRA1GABRB2MAOACYP1A2
SCHEMBL5204628 0.83 LTA4H (0.46)
SCHEMBL1023576 0.79 DHFR (0.53) DHFRGABRA1GABRB2HMGCRPTPN1
SCHEMBL1023654 0.79 DHFR (0.45) DHFRGABRA1GABRB2HMGCRPTPN1
SCHEMBL1022736 0.79 DHFR (0.53) DHFRGABRA1GABRB2HMGCRPTPN1
SCHEMBL15033132 0.78 PRKCE (0.44) GABRA1GABRB2MAOACYP1A2CYP3A4
SCHEMBL20102183 0.76 DHFR (0.43) DHFRGABRA1GABRB2HMGCRPTPN1
SCHEMBL1024722 0.74 HPGD (0.50) DHFRGABRA1GABRB2CYP3A4PTGS2
SCHEMBL16520304 0.74 CYP1A2 (0.36) GABRA1GABRB2CYP1A2CYP3A4CYP2C9
SCHEMBL1023550 0.74 DHFR (0.47) DHFRGABRA1GABRB2PTPN1PTPN11

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-20180120701-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed