SCHEMBL28038880

SCHEMBL28038880

O=C(O)Cc1ccc(Cl)cc1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
CAMK2A Q9UQM7 1/20 0.60
AKR1B1 P15121 1/20 0.58
CTBP2 P56545 1/20 0.57
LMNA P02545 2/20 0.56
ABCC4 O15439 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
PTGS1 P23219 1/20 0.56
HTT P42858 1/20 0.56
TBXA2R P21731 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FFAR1 O14842 1/20 0.50

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
SCHEMBL75665 0.98 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2LMNA
Methane SCHEMBL1994900 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2LMNA
Hydrochloric Acid SCHEMBL76051 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL4211639 0.91 ABCC4 (0.69) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL11830858 0.89 CA2 (0.54) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL11565077 0.86 CYP26A1 (0.51) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL5465427 0.86 PDE4B (0.53) CA2CAMK2AAKR1B1CTBP2LMNA
SCHEMBL6441891 0.86 SRD5A2 (0.62) CA2CAMK2AFFAR1
SCHEMBL69614 0.84 CA2 (0.79) CA2CAMK2AAKR1B1LMNAABCC4
SCHEMBL11563495 0.84 TBXA2R (0.63) CA2CAMK2AAKR1B1CTBP2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704538-A Method for preparing p-hydroxyphenylacetic acid by using microreactor 杭州迈科瑞科技有限公司 2020-09-25 CN disclosed
CN-105339431-A Polyarylene sulfide resin composition and method for producing same TORAY INDUSTRIES 2016-02-17 CN disclosed
CN-105152918-A Preparation method of methoxyphenylacetic acid and intermediate and salt thereof LIANHETECH YANCHENG CO LTD 2015-12-16 CN disclosed