SCHEMBL9207932

SCHEMBL9207932

CCCCCCCCCC[CH]C1C=CCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 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
SCHEMBL9208174 1.00 TSHR (0.34) TSHRFAAHTRPV1MEN1ALDH1A1
SCHEMBL9209670 1.00 TSHR (0.34) TSHRFAAHTRPV1MEN1ALDH1A1
SCHEMBL9215774 0.89 TSHR (0.32) TSHR
SCHEMBL9208871 0.89 TSHR (0.32) TSHR
SCHEMBL7998022 0.86
SCHEMBL7186558 0.81
SCHEMBL7980518 0.76
SCHEMBL9210676 0.73 ALDH1A1 (0.42) TSHRFAAHTRPV1ALDH1A1
SCHEMBL7998016 0.72 NPC1 (0.31)
SCHEMBL9215051 0.70 ALDH1A1 (0.49) FAAHTRPV1MEN1ALDH1A1MAPT

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