SCHEMBL9839420

SCHEMBL9839420

CCCCCCCCCCCc1cnc(-c2ccc(C(=O)O)c(CCCCCCCC)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 3/20 0.48
▸ RARB P10826 4/20 0.45
▸ RARA P10276 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45
▸ GABRG1 Q8N1C3 1/20 0.45
▸ GABRG3 Q99928 1/20 0.45
▸ GABRQ Q9UN88 1/20 0.45

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
SCHEMBL9840262 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840244 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840487 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL10722658 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL10550230 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840807 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840778 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840281 1.00 HPSE (0.48) HPSERARBRARARARGGABRP
SCHEMBL9840865 0.99 HPSE (0.47) HPSERARBRARARARGGABRP
SCHEMBL10721132 0.97 HPSE (0.46) HPSERARBRARARARGGABRP

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-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 — — EP disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
Send feedback