SCHEMBL30231670

SCHEMBL30231670

Cc1cc(O[C@H](C)C(=O)O)cc2oc(=O)cc(-c3ccc(F)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ HPGD P15428 5/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ RECQL P46063 1/20 0.57
▸ MAPT P10636 4/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ APEX1 P27695 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH2 P05091 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AR P10275 1/20 0.43

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
SCHEMBL30231669 1.00 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL30231646 0.89 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL30231686 0.89 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL30231689 0.84 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL30227915 0.83 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL21630173 0.82 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ERECQLRXFP1
SCHEMBL30231748 0.78 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL30231429 0.76 MAP1LC3B (0.55) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL21629591 0.74 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL21629565 0.73 ALDH1A1 (0.66) ALDH1A1HPGDKDM4ERECQLTDP1

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
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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