SCHEMBL19638663

SCHEMBL19638663

C=CC(=C)CCC=C(C)CCCC(=C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
SQLE Q14534 6/20 0.40
KMT2A Q03164 3/20 0.39
ALOX15 P16050 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
UGT1A1 P22309 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
LSS P48449 1/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19638662 1.00 TSHR (0.59) TSHRSQLEKMT2AALOX15MAPT
SCHEMBL9709470 0.87 TSHR (0.49) TSHRSQLEKMT2AKDM1A
SCHEMBL9709473 0.87 TSHR (0.49) TSHRSQLEKMT2AKDM1A
Myrcene SCHEMBL29107157 0.85 TSHR (0.77) TSHRSQLEKMT2AALOX15MAPT
SCHEMBL10926269 0.81 TSHR (0.55) TSHRSQLEKMT2AALOX15MAPT
SCHEMBL245195 0.81 TSHR (0.50) TSHRALDH1A1
SCHEMBL9017161 0.80 KDM1A (0.55) TSHRSQLEKMT2AKDM1A
SCHEMBL9017166 0.80 KDM1A (0.55) TSHRSQLEKMT2AKDM1A
SCHEMBL11360694 0.80 TSHR (0.83) TSHRSQLEKMT2AALOX15MAPT
SCHEMBL16820318 0.80 TSHR (0.83) TSHRSQLEKMT2AALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969020-B1 SPECIFIC UNSATURATED AND BRANCHED FUNCTIONAL MATERIALS FOR USE IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-11-29 EP disclosed