SCHEMBL9725912

SCHEMBL9725912

CCCOc1[c]ccc(OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.40
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 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
SCHEMBL1404367 0.93 KMT2A (0.41) KMT2AMEN1TSHRMAPTCA12
SCHEMBL20703535 0.91 NQO1 (0.43) NQO1TP53CYP3A4KMT2AMEN1
SCHEMBL128388 0.89 NQO1 (0.46) NQO1TP53CYP3A4KMT2AMEN1
SCHEMBL20703590 0.86 MAPK1 (0.42) NQO1TP53CYP3A4KMT2AMEN1
SCHEMBL6554584 0.86 TUBB4A (0.39) KMT2ANPC1TSHRALDH1A1MAPK1
SCHEMBL677451 0.84 LTA4H (0.43) CYP3A4KMT2AMEN1NPC1TSHR
SCHEMBL677235 0.82 TSHR (0.47) TP53TSHRLTA4H
SCHEMBL721489 0.81 NQO1 (0.43) NQO1TP53CYP3A4KMT2AMEN1
SCHEMBL20819713 0.81 TSHR (0.50) TP53TSHRLTA4H
SCHEMBL20819716 0.81 TSHR (0.50) TP53TSHRLTA4H

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-5145823-A Polymerization process SHELL OIL COMPANY (US) 1992-09-08 US disclosed
US-5025091-A Polymerization of CO/olefin with Hydrocarbyl-Pd halide/bidentate P ligand catalyst complex SHELL OIL COMPANY (US) 1991-06-18 US disclosed