SCHEMBL28420856

SCHEMBL28420856

C=CC(Nc1ccccc1C(=O)O)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.42
▸ P4HB P07237 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ DHODH Q02127 2/20 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
SCHEMBL3387199 0.91 KMT2A (0.57) KMT2AMEN1ALDH1A1TDP1P4HB
SCHEMBL10340264 0.71 KDM4E (0.49) KMT2AMEN1ALDH1A1GAATP53
SCHEMBL1170360 0.70 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1TDP1CYP2C9
SCHEMBL11822475 0.69 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL890714 0.68 TGM2 (0.58) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL10835189 0.68 FABP4 (0.73) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL29367186 0.68 TGM2 (0.58) KMT2AMEN1ALDH1A1TDP1HPGD
Phthalic Acid SCHEMBL9724323 0.68 ALDH1A1 (0.78) KMT2AALDH1A1GAATDP1HPGD
SCHEMBL11160287 0.68 TTR (0.39) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL16687807 0.68 KMT2A (0.54) KMT2AMEN1ALDH1A1TDP1CYP1A2

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
CN-115737523-A Female bacteriostatic repair care solution based on cell complex factors 深圳市合一康生物科技股份有限公司 2023-03-07 — — CN claimed
CN-115737523-A Female bacteriostatic repair care solution based on cell complex factors 深圳市合一康生物科技股份有限公司 2023-03-07 — — CN disclosed
CN-107625680-B Allergy-relieving water agent and preparation method thereof 杭州梵琳科技有限公司 2020-07-10 — — CN disclosed
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