SCHEMBL10520237

SCHEMBL10520237

COC(=O)CCCCCNC(=O)C(C)N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.48
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RRM1 P23921 1/20 0.41
▸ ALDH1A2 O94788 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ TLR2 O60603 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40

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
SCHEMBL10422914 1.00 EPHX2 (0.48) EPHX2TSHRLMNAALDH1A1RRM1
SCHEMBL15623812 0.85 ALDH1A2 (0.54) ALDH1A1RRM1ALDH1A2ALDH2ALDH1A3
SCHEMBL17885891 0.84 TSHR (0.52) EPHX2TSHRLMNAALDH1A1ALDH1A2
SCHEMBL18768870 0.83 TSHR (0.52) EPHX2TSHRLMNAALDH1A1ALDH1A2
SCHEMBL8390709 0.82 ADRA1A (0.58) EPHX2TSHRLMNAALDH1A1TLR2
SCHEMBL14854351 0.82 TLR2 (0.48) EPHX2LMNAALDH1A1RRM1DPP7
SCHEMBL8388348 0.80 ADRA1A (0.55) EPHX2LMNADPP7TLR2
SCHEMBL18807860 0.80 DPP7 (0.50) EPHX2RRM1DPP7TLR2S1PR2
SCHEMBL18807990 0.80 DPP7 (0.50) EPHX2RRM1DPP7TLR2S1PR2
SCHEMBL19388210 0.79 TLR2 (0.44) EPHX2RRM1DPP7TLR2S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880829-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE AND COMPANY (US) 1989-11-14 — — US disclosed
US-4847241-A ANALGESICS G. D. SEARLE & CO. (US) 1989-07-11 — — US disclosed
US-4822775-A ANALGESICS G. D. SEARLE & CO. (US) 1989-04-18 — — US disclosed
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