SCHEMBL9629093

SCHEMBL9629093

CCC(Cl)(Cl)N(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RIPK1 Q13546 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.40
PAX8 Q06710 2/20 0.39
JAK2 O60674 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5712822 0.79 KMT2A (0.44) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL7034982 0.74 KMT2A (0.47) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL28663043 0.73 KMT2A (0.40) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL27537400 0.73 ALDH1A1 (0.40) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL8599402 0.70 KMT2A (0.44) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL21392780 0.70 ALDH1A1 (0.53) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL1008397 0.70 NPSR1 (0.44) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL27411784 0.69 KMT2A (0.43) ALDH1A1GLATSHRKMT2AHTT
SCHEMBL11016845 0.69 KMT2A (0.44) ALDH1A1GLATSHRKMT2ASMN1; SMN2
SCHEMBL6928667 0.69 KMT2A (0.43) ALDH1A1GLATSHRKMT2AHTT

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
EP-0207636-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE DICHLOROPROPANOL USING MICROORGANISM Daiso Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4840907-A CULTIVATING PSEUDOMONAS STRAIN IN MEDIUM WITH RACEMATE OSAKA SODA CO., LTD. (JP) 1989-06-20 US disclosed
EP-0207636-A2 Process for producing optically active dichloropropanol using microorganism Daiso Co., Ltd. (JP) 1987-01-07 EP disclosed