SCHEMBL8698905

SCHEMBL8698905

O=C(O)c1ccccc1CCCc1ccccc1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.61
▸ TSHR P16473 1/20 0.60
▸ PTPN1 P18031 5/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SLC16A3 O15427 5/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.44
▸ ADRB2 P07550 1/20 0.44

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
SCHEMBL8698803 0.88 FOLH1 (0.58) FOLH1TSHRSLC16A3ALDH1A1ADRB2
SCHEMBL20162476 0.87 FOLH1 (0.61) FOLH1TSHRSLC16A3ALDH1A1ADRB2
SCHEMBL31474045 0.87 FOLH1 (0.70) FOLH1TSHRSLC16A3CA1CA2
SCHEMBL23003 0.85 TSHR (0.79) FOLH1TSHRPTPN1CA1CA2
SCHEMBL11710027 0.84 FOLH1 (0.61) FOLH1TSHRSLC16A3ALDH1A1ADRB2
Ammonia Solution, Strong SCHEMBL27527756 0.83 TSHR (0.76) FOLH1TSHRPTPN1CA1CA2
SCHEMBL28370887 0.83 TSHR (0.76) FOLH1TSHRPTPN1CA1CA2
SCHEMBL729909 0.83 FOLH1 (0.70) FOLH1TSHRSLC16A3CA1CA2
SCHEMBL8702953 0.82 FOLH1 (0.63) FOLH1TSHRALDH1A1ADRB2
SCHEMBL9345842 0.81 FOLH1 (0.68) FOLH1TSHRSLC16A3ALDH1A1

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-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 — — US disclosed
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