SCHEMBL11858409

SCHEMBL11858409

CCCCCCCCC1C2C=CC(C2)C1CCCCCCCCCl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.33
ALOX5 P09917 1/20 0.33
TBXA2R P21731 1/20 0.30
PTGFR P43088 1/20 0.30
PTGER2 P43116 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL7543239 0.90 ALDH1A1 (0.41) TSHRALDH1A1EPHX1ALOX5TBXA2R
SCHEMBL6237982 0.88 ALDH1A1 (0.38) TSHRALDH1A1EPHX1ALOX5TBXA2R
SCHEMBL816628 0.82 CYP1A2 (0.36) ALDH1A1
SCHEMBL11735435 0.78 GBA1 (0.39)
SCHEMBL15922307 0.77 TSHR (0.35) TSHRALDH1A1EPHX1ALOX5TBXA2R
SCHEMBL6237588 0.74 EPHX1 (0.43) TSHRALDH1A1EPHX1ALOX5PPARG
SCHEMBL4879664 0.73 CYP1A2 (0.30)
SCHEMBL9352873 0.73
SCHEMBL6242175 0.71 EPHX1 (0.40) TSHRALDH1A1EPHX1ALOX5PTGER2
SCHEMBL11778677 0.70 USP2 (0.39) TSHR

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-3937763-A TETRAPOLYMER OF ETHYLENE-A-OLEFIN-HALONORBORNENE-NON-CONJUGATED POLYENES, DIENE RUBBER, BUTYL RUBBER SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-10 US claimed
US-3937763-A TETRAPOLYMER OF ETHYLENE-A-OLEFIN-HALONORBORNENE-NON-CONJUGATED POLYENES, DIENE RUBBER, BUTYL RUBBER SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-10 US disclosed