SCHEMBL10406540

SCHEMBL10406540

CCCCOB(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPM2 O94759 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
CA2 P00918 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37

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
SCHEMBL12266321 0.91 LPL (0.40) ALDH1A1MEN1KMT2AKDM4ETRPM2
SCHEMBL14983333 0.84 PCSK9 (0.37) ALDH1A1MEN1KMT2APCSK9CA2
SCHEMBL7799309 0.82 TSHR (0.59) ALDH1A1MEN1KMT2AKDM4ETRPM2
SCHEMBL12266236 0.78 CYP1A2 (0.64) ALDH1A1MEN1KMT2AKDM4ETRPM2
SCHEMBL12266378 0.74 LYPLA1 (0.59) ALDH1A1MEN1KMT2AKDM4ETRPM2
P-Xylene SCHEMBL27374298 0.73 TSHR (0.50) ALDH1A1MEN1KMT2ACYP3A4THRB
SCHEMBL12266234 0.73 CYP1A2 (0.53) ALDH1A1MEN1KMT2AKDM4ETRPM2
SCHEMBL12266145 0.72 CYP1A2 (0.79) ALDH1A1MEN1KMT2AKDM4ETRPM2
SCHEMBL109524 0.72 DRD2 (0.63) MEN1KMT2ACYP3A4TSHRCA2
P-Xylene SCHEMBL28282785 0.72 TSHR (0.48) ALDH1A1MEN1KMT2ACYP3A4THRB

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-4927553-A LUBRICANT CONTAINING BORONATED PHENOLIC ANTIOXIDANT AND ANTI-HAZE DIOL ETHYL CORPORATION (US) 1990-05-22 US disclosed
US-4623360-A ANTICOKING, ORGANIC NITRATES AND BORATED PHENOLIC COMPOUND ETHYL CORPORATION (US) 1986-11-18 US disclosed