SCHEMBL22277422

SCHEMBL22277422

C/C=C/CCC1CCC(C2CCC(C(=O)OC3CCC(c4ccc(OCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22277456 0.89 SMN1; SMN2 (0.35) HPGDSMN1; SMN2DRD2GLA
SCHEMBL13322092 0.89 OPRL1 (0.30) —
SCHEMBL12197469 0.89 HPGD (0.32) HPGDSMN1; SMN2
SCHEMBL12197491 0.89 HPGD (0.32) HPGDSMN1; SMN2
SCHEMBL22277169 0.88 — —
SCHEMBL22277215 0.88 — —
SCHEMBL14922394 0.88 SMN1; SMN2 (0.40) HPGDSMN1; SMN2GLA
SCHEMBL14922631 0.88 SMN1; SMN2 (0.40) HPGDSMN1; SMN2GLA
SCHEMBL22277419 0.87 NAAA (0.35) HPGDSMN1; SMN2DRD2GLA
SCHEMBL11940767 0.86 OPRL1 (0.32) HPGDCNR1CNR2

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 — — US disclosed
Send feedback