SCHEMBL9839162

SCHEMBL9839162

O=C1OC(C(=O)O)(C(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
GOPC Q9HD26 1/20 0.53
GAA P10253 2/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 5/20 0.49
TDP1 Q9NUW8 4/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 4/20 0.47
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR55 Q9Y2T6 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
TP53 P04637 1/20 0.47
TYMS P04818 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL11288549 0.77 CFTR (0.50) CFTRGOPCGAAPKMNPSR1
SCHEMBL21160844 0.76 CTRB1 (0.45) CFTRGOPCGAAPKMNPSR1
SCHEMBL30504216 0.75 AKR1C1 (0.43) CFTRGOPCGAAPKMNPSR1
SCHEMBL2597727 0.74 CFTR (0.47) CFTRGOPCGAAPKMNPSR1
SCHEMBL8076944 0.74 CFTR (0.47) CFTRGOPCGAAPKMNPSR1
SCHEMBL11282699 0.73 CFTR (0.46) CFTRGOPCGAAPKMNPSR1
SCHEMBL3505329 0.72 CFTR (0.53) CFTRGOPCGAAPKMNPSR1
SCHEMBL7107619 0.72 CFTR (0.53) CFTRGOPCGAAPKMNPSR1
SCHEMBL31084368 0.72 CFTR (0.53) CFTRGOPCGAAPKMNPSR1
SCHEMBL9787743 0.72 CFTR (0.57) CFTRGOPCGAAPKMNPSR1

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
CN-112280295-A Preparation method of high-temperature-resistant electromagnetic shielding electrical casing 安徽实友电力金具有限公司 2021-01-29 CN disclosed
US-5041633-A Process for the production of an aromatic polycarboxylic acid AMOCO CORPORATION (US) 1991-08-20 US disclosed
EP-0375812-A1 Process for the production of an aromatic polycarboxylic acid AMOCO CORPORATION (US) 1990-07-04 EP disclosed
US-4719311-A MULTISTAGE OXIDATION AMOCO CORPORATION (US) 1988-01-12 US disclosed