SCHEMBL20882803

SCHEMBL20882803

C=C(C)C(=O)OCCCCC1CCC(c2ccc(CCCCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ SPHK1 Q9NYA1 13/20 0.47
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SPHK2 Q9NRA0 7/20 0.42
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL19722466 0.97 TSHR (0.46) TSHRSPHK1THRATHRBSPHK2
SCHEMBL19844224 0.90 CYP2C9 (0.40) TSHRSPHK1CYP2C9
SCHEMBL9480987 0.88 POLB (0.51) TSHRCYP2C9
SCHEMBL9480980 0.88 POLB (0.51) TSHRCYP2C9
SCHEMBL13882618 0.87 POLB (0.53) TSHRCYP2C9
SCHEMBL19294804 0.87 POLB (0.53) TSHRCYP2C9
SCHEMBL19722314 0.86 SPHK1 (0.47) SPHK1THRATHRBSPHK2CYP2C9
SCHEMBL19721820 0.86 SPHK1 (0.44) SPHK1SPHK2CYP2C9
SCHEMBL19722554 0.85 SPHK1 (0.43) SPHK1SPHK2CYP2C9
SCHEMBL19722051 0.85 SPHK1 (0.43) SPHK1SPHK2CYP2C9

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-3466918-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-04-10 — — EP disclosed
Send feedback