SCHEMBL8960912

SCHEMBL8960912

[CH2]C(C)C(C)CCCCC=C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
TRPA1 O75762 2/20 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
SCHEMBL8960440 0.93 TSHR (0.42) TSHRALDH1A1
SCHEMBL8960749 0.82
Ammonia Solution, Strong SCHEMBL3116437 0.81 TSHR (0.42) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL2119941 0.80
Ammonia Solution, Strong SCHEMBL3123530 0.79 TSHR (0.46) TSHRALDH1A1MAPTUSP2CYP3A4
Ammonia Solution, Strong SCHEMBL3124798 0.79 TSHR (0.46) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL9123272 0.79 TSHR (0.41) TSHRALDH1A1MAPTUSP2CYP3A4
Ammonia Solution, Strong SCHEMBL3122842 0.79 TSHR (0.46) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL304895 0.78 TSHR (0.50) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL28405823 0.78 TSHR (0.50) TSHRALDH1A1MAPTUSP2CYP3A4

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-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 EP disclosed