SCHEMBL637562

SCHEMBL637562

NC(CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.59
CYP2C19 P33261 2/20 0.59
KCNN4 O15554 3/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MIF P14174 1/20 0.42
KIF11 P52732 3/20 0.41
HTT P42858 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1081533 0.84 HIF1A (0.57) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL27979602 0.84 MAPT (0.48) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL28221517 0.82 HIF1A (0.50) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL8783850 0.80 HIF1A (0.53) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL2300536 0.80 CYP2C19 (0.64) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL7531200 0.80 HIF1A (0.53) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL2295046 0.80 CYP2C19 (0.64) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL167044 0.80 CYP2C19 (0.64) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL372277 0.80 HIF1A (0.53) HIF1ACYP2C19KCNN4CYP1A2CYP2D6
SCHEMBL15228093 0.80 HIF1A (0.53) HIF1ACYP2C19KCNN4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108834402-A Method for generating tumor infiltrating T cell population 莱特克斯生物制药股份有限公司 2018-11-16 CN disclosed
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed
EP-0057444-B1 DICHLOROAMINO ACID DERIVATIVES USEFUL AS POTENT GERMICIDAL AND FUNGICIDAL AGENTS MERCK & CO. INC. (US) 1986-05-07 EP disclosed
US-4386103-A ENVIRONMENT, FOOD TREATMENT, PERSONAL OR VETERINARY HYGIENE MERCK & CO., INC. (US) 1983-05-31 US disclosed
EP-0057444-A2 Dichloroamino acid derivatives useful as potent germicidal and fungicidal agents MERCK & CO. INC. (US) 1982-08-11 EP disclosed