SCHEMBL9707047

SCHEMBL9707047

CC(CSc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ USP19 O94966 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ ADRB2 P07550 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ ACLY P53396 1/20 0.38

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
SCHEMBL9707080 0.79 HPGD (0.39) HSD17B10ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL9707067 0.77 KDM4E (0.42) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL9707085 0.77 SMN1; SMN2 (0.68) TSHRRECQLALDH1A1SMN1; SMN2HPGD
SCHEMBL8696413 0.70 HSD17B10 (0.77) HSD17B10USP19TSHRHPGDMEN1
SCHEMBL9551146 0.70 BACE1 (0.39) HSD17B10ALDH1A1ADRB2SMN1; SMN2HPGD
SCHEMBL9550715 0.69 PTPN1 (0.41) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL27630775 0.69 HSD17B10 (0.75) HSD17B10TSHRALDH1A1HTTHPGD
SCHEMBL26802538 0.69 HSD17B10 (0.75) HSD17B10TSHRALDH1A1HTTHPGD
SCHEMBL9510615 0.69 SMN1; SMN2 (0.53) TSHRALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9814008 0.69 SMN1; SMN2 (0.70) HSD17B10ALDH1A1HTTSMN1; SMN2HPGD

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
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 — — EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 — — US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 — — US disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 — — EP disclosed
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