SCHEMBL9214895

SCHEMBL9214895

CCCCCCCCCCCCCCCCCC[CH]C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.44
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
DNM1 Q05193 3/20 0.41
GMNN O75496 2/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 2/20 0.38
APEX1 P27695 2/20 0.38
CYP2C19 P33261 2/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
EP300 Q09472 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL28289397 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL2287725 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11609820 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9210803 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7391537 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9202867 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL8714667 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9211158 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL2723911 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3207026 1.00 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed