SCHEMBL9817507

SCHEMBL9817507

CCCCCCc1cnc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 12/20 1.00
▸ RAB9A P51151 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ NFKB2 Q00653 1/20 0.71
▸ RELA Q04206 1/20 0.71
▸ MEN1 O00255 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ RARA P10276 1/20 0.70
▸ MTOR P42345 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ TSHR P16473 1/20 0.51

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
SCHEMBL8371650 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4186000 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9734086 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9733644 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL9744977 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL8534144 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL5687511 1.00 RARB (1.00) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9323786 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9744777 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1
Hydrochloric Acid SCHEMBL9746644 0.99 RARB (0.97) RARBRAB9ASMN1; SMN2NPC1NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055221-A Rapidly switching ferroelectric display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 — — US disclosed
EP-0224579-B1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-01-24 — — EP disclosed
EP-0224579-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-06-10 — — EP disclosed
WO-1986007085-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 — — WO disclosed
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