SCHEMBL7710304

SCHEMBL7710304

C=CCN(CC=C)CCCCCCCCC=CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
FAAH O00519 3/20 0.45
TRPV1 Q8NER1 1/20 0.45
EPHX2 P34913 3/20 0.41
KCNH2 Q12809 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL7710297 1.00 TSHR (0.50) TSHRFAAHTRPV1EPHX2KCNH2
SCHEMBL10071610 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL3237794 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL9807794 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL9567939 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL7167469 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL11043940 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL4755851 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL6257271 0.90 TSHR (0.48) TSHRFAAHKCNH2
SCHEMBL4366918 0.90 TSHR (0.48) TSHRFAAHKCNH2

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-6361801-B1 HAIR FIXING ALLYL POLYMER CALGON CORPORATION 2002-03-26 US disclosed
WO-2000005192-A2 ALKYL ALLYL AMINES AND LOW VOC HAIR STYLING COMPOSITIONS USING SAME CALGON CORPORATION (US) 2000-02-03 WO disclosed