SCHEMBL14204635

SCHEMBL14204635

Cc1cc(C)cc(OP(C)(=O)Oc2cc(C)cc(C)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
TSHR P16473 3/20 0.70
CYP3A4 P08684 2/20 0.70
MAPK1 P28482 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
INPPL1 O15357 2/20 0.39
INPP5A Q14642 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
SRC P12931 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL332850 0.82 CYP3A4 (1.00) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11398356 0.78 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28209128 0.78 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7159151 0.78 INPPL1 (0.68) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4987063 0.78 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4136823 0.78 ACHE (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL14047519 0.76 CYP3A4 (0.78) ALDH1A1TSHRCYP3A4MAPK1TDP1
Fluoride SCHEMBL31047199 0.76 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2608371 0.76 CYP3A4 (0.86) ALDH1A1TSHRCYP3A4MAPK1TDP1
Ammonia Solution, Strong SCHEMBL17670035 0.76 INPPL1 (0.65) ALDH1A1TSHRCYP3A4MAPK1TDP1

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-7365113-B2 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION 2008-04-29 US disclosed
US-7365113-B2 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION 2008-04-29 US disclosed