SCHEMBL29908923

SCHEMBL29908923

O=C(O)c1ccccc1-c1ccc(-c2ccc(-c3ccccc3C(=O)O)c3ccccc23)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
ALOX15 P16050 1/20 0.59
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX12 P18054 1/20 0.57
FOLH1 Q04609 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
MYC P01106 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
SOS1 Q07889 1/20 0.50
HNF4A P41235 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL18539204 0.95 NR4A1 (0.61) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL30028907 0.90 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL36145 0.90 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL2179040 0.88 HSD17B10 (0.53) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL10888462 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL1681943 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL2830888 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL30620175 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL7579852 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL28408894 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304765-A1 SPACER FOR A SPIRAL WOUND MEMBRANE Evove Ltd (GB) 2024-01-17 EP disclosed
WO-2022189785-A1 SPACER FOR A SPIRAL WOUND MEMBRANE EVOVE LTD (GB) 2022-09-15 WO disclosed