SCHEMBL9306191

SCHEMBL9306191

Nc1ccc(C(=O)O)cc1O.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MAPT P10636 5/20 0.61
GAA P10253 5/20 0.61
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA6 P23280 4/20 0.61
CA9 Q16790 4/20 0.61
CA4 P22748 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
POLB P06746 2/20 0.61
PTGS2 P35354 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CDC25B P30305 1/20 0.55
LMNA P02545 2/20 0.52
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL180385 0.98 KDM4E (0.64) KDM4EMAPTGAACA12CA1
Hydrochloric Acid SCHEMBL9797575 0.96 MAPT (0.61) KDM4EMAPTGAACA12CA1
Phosphoric Acid SCHEMBL9468960 0.90 KDM4E (0.55) KDM4EMAPTGAACA12CA1
Aniline SCHEMBL7897579 0.88 KDM4E (0.53) KDM4EMAPTGAACA12CA1
SCHEMBL10434120 0.87 MAPT (0.52) KDM4EMAPTGAACA12CA1
SCHEMBL9328747 0.86 SRD5A2 (0.58) KDM4EMAPTGAACA12CA1
SCHEMBL9307729 0.83 KDM4E (0.61) KDM4EMAPTGAACA12CA1
SCHEMBL2808434 0.82 CDC25B (0.59) KDM4EMAPTGAACA12CA1
SCHEMBL766129 0.82 HSD17B10 (0.52) KDM4EMAPTGAACA12CA1
SCHEMBL29412590 0.82 HSD17B10 (0.52) KDM4EMAPTGAACA12CA1

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