SCHEMBL5388501

SCHEMBL5388501

Cc1cccc(C)c1O.O=P(O)(O)Oc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
INPPL1 O15357 4/20 0.42
INPP5A Q14642 4/20 0.42
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TRPA1 O75762 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B2 P37059 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
INPP5B P32019 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL133534 0.88 SRC (0.59) SRCALDH1A1CYP3A4INPPL1INPP5A
SCHEMBL29743077 0.88 SRC (0.59) SRCALDH1A1CYP3A4INPPL1INPP5A
SCHEMBL20854529 0.86 SRC (0.58) SRCALDH1A1CYP3A4INPPL1INPP5A
Phenol SCHEMBL999412 0.83 SRC (0.64) SRCALDH1A1CYP3A4INPPL1INPP5A
Pyrophosphoric Acid SCHEMBL28395595 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TRPA1ACHEHSD17B2
Naphthalene SCHEMBL9438226 0.81 SRC (0.57) SRCALDH1A1CYP3A4INPPL1INPP5A
Resorcinol SCHEMBL1458396 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TRPA1ACHEHSD17B2
Resorcinol SCHEMBL6113987 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TRPA1ACHEHSD17B2
Biphenyl SCHEMBL6141288 0.80 SRC (0.60) SRCCYP3A4INPPL1INPP5AESR1
SCHEMBL1609938 0.79 CYP3A4 (0.44) SRCALDH1A1CYP3A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294660-B2 Contains aluminum borate whisker being dispersed uniformly therein, is excellent in mechanical strength, and is suppressed with respect to the anisotropy of a mechanical property ASAHI DENKA CO., LTD. (JP) 2007-11-13 US disclosed
US-20050176854-A1 Epoxy resin composition ASAHI DENKA CO (JP) 2005-08-11 US disclosed