SCHEMBL4722206

SCHEMBL4722206

CCCC(c1ccccc1C(CCC)C(C)CC)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
AOC3 Q16853 2/20 0.33
POLB P06746 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
DHFR P00374 1/20 0.32
PDGFRB P09619 1/20 0.32
LMNA P02545 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA2 P00918 1/20 0.31
DPP4 P27487 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL984726 0.87 TSHR (0.58) TSHRTRPA1SMN1; SMN2AOC3POLB
SCHEMBL12803686 0.81 TAAR1 (0.45) TRPA1SMN1; SMN2AOC3LMNACYP3A4
SCHEMBL984860 0.76 TSHR (0.55) TSHRSMN1; SMN2POLBGABRA1GABRB2
SCHEMBL980520 0.75 TSHR (0.53) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL983912 0.74 TSHR (0.51) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL983127 0.74 TSHR (0.51) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL980811 0.74 TSHR (0.51) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL982890 0.74 TSHR (0.51) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL981426 0.74 TSHR (0.51) TSHRPOLBGABRA1GABRB2LMNA
SCHEMBL23518017 0.74 KCNA5 (0.47) TSHRSMN1; SMN2LMNAALDH1A1CYP3A4

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
EP-1920035-A1 GEAR OIL COMPOSITION Toyota Jidosha Kabushiki Kaisha (JP) 2008-05-14 EP disclosed
WO-2007012969-A1 GEAR OIL COMPOSITION TOYOTA JIDOSHA KABUSHIKI KAISHA (GB) 2007-02-01 WO disclosed