SCHEMBL7801052

SCHEMBL7801052

CCCCCC(CC)OOC(C)(C)CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11605274 0.89 OPRM1 (0.31) OPRM1
SCHEMBL31464888 0.84 SMPD1 (0.33) OPRM1
SCHEMBL22126692 0.82 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL17824523 0.80 SMPD1 (0.37) OPRM1ALDH1A1TSHRTDP1
SCHEMBL8672419 0.79 OPRM1 (0.42) OPRM1TSHR
SCHEMBL18500308 0.78 CA2 (0.35) ALDH1A1TSHRTDP1
SCHEMBL8213474 0.77 FAAH (0.37) OPRM1ALDH1A1
SCHEMBL8163436 0.75
SCHEMBL16401774 0.75 CA2 (0.33)
SCHEMBL27814887 0.73 PRKCA (0.35)

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-0842951-B1 Process for the preparation of microencapsulated polymers BAYER AG (DE) 2001-06-13 EP disclosed
US-6020385-A Process for the preparation of microencapsulated polymers BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed
EP-0842951-A1 Process for the preparation of microencapsulated polymers BAYER AG (DE) 1998-05-20 EP disclosed