SCHEMBL9307729

SCHEMBL9307729

Nc1cc(C(=O)O)ccc1O.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
GAA P10253 8/20 0.61
MAPT P10636 6/20 0.61
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA6 P23280 2/20 0.61
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
PTGS2 P35354 2/20 0.61
CA4 P22748 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
HTT P42858 3/20 0.50
CDC25B P30305 1/20 0.50
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 6/20 0.49
HPGD P15428 5/20 0.49
THRB P10828 3/20 0.49

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
SCHEMBL29476052 0.98 KDM4E (0.64) KDM4EGAAMAPTCA12CA1
SCHEMBL79989 0.98 KDM4E (0.64) KDM4EGAAMAPTCA12CA1
Hydrochloric Acid SCHEMBL8690817 0.96 KDM4E (0.61) KDM4EGAAMAPTCA12CA1
Hydrochloric Acid SCHEMBL9161193 0.94 KDM4E (0.59) KDM4EGAAMAPTCA12CA1
Phosphoric Acid SCHEMBL9468965 0.90 KDM4E (0.55) KDM4EGAAMAPTCA12CA1
SCHEMBL9306191 0.83 KDM4E (0.61) KDM4EGAAMAPTCA12CA1
SCHEMBL10434407 0.82 HTT (0.65) KDM4EGAAMAPTCA12CA1
SCHEMBL30786420 0.82 ALDH1A1 (0.53) GAAMAPTCA12CA1CA2
SCHEMBL336990 0.82 ALDH1A1 (0.53) GAAMAPTCA12CA1CA2
SCHEMBL2808434 0.82 CDC25B (0.59) KDM4EGAAMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324808-A Polybenzimidazoles, polybenzoazoles or polybenzothiazoles THE DOW CHEMICAL COMPANY (US) 1994-06-28 US disclosed
US-5235023-A Forming polybenzimidazoles, polybenzthiazoles and polybenz-oxazoles; disodium or dilithium terephthalate monomer THE DOW CHEMICAL COMPANY (US) 1993-08-10 US disclosed
EP-0449811-A1 IMPROVED PROCESS FOR SYNTHESIS OF HETEROCYCLIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1991-10-09 EP disclosed
WO-1990006960-A1 IMPROVED PROCESS FOR SYNTHESIS OF HETEROCYCLIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1990-06-28 WO disclosed