SCHEMBL27533414

SCHEMBL27533414

Cc1c(C(=O)O)cccc1C(=O)O.NC([O])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MYC P01106 2/20 0.52
▸ ALOX15 P16050 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ G6PD P11413 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ KMT2A Q03164 3/20 0.46

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
Bicarbonate SCHEMBL27492485 0.93 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10
Hydrazine SCHEMBL28166056 0.91 TSHR (0.57) TSHRALDH1A1HPGDKDM4EHSD17B10
Benzene SCHEMBL27265959 0.91 TSHR (0.61) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL756585 0.91 TSHR (0.61) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27703149 0.91 TSHR (0.61) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2431512 0.89 TSHR (0.52) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10768142 0.88 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28188375 0.88 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27479457 0.88 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10
Ammonia Solution, Strong SCHEMBL27776892 0.88 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10

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
CN-1258294-A 2-oxoimidazole derivs. BANYU PHARMA CO LTD (JP) 2000-06-28 — — CN disclosed
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