SCHEMBL5348693

SCHEMBL5348693

COc1ccc(C(=O)OCCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.60
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
ESR2 Q92731 1/20 0.55
GAA P10253 1/20 0.55
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL11985689 0.89 MAPT (0.73) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL11490111 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL11233009 0.87 TDP1 (0.54) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL6704208 0.85 CA1 (0.62) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL27824110 0.85 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL1988247 0.84 TSHR (0.68) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL13256587 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL26189841 0.84 RAB9A (0.67) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL20073067 0.84 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTCA1
SCHEMBL12532605 0.84 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106810411-B A kind of method of acyl chlorides and 1,2- dichloroethanes reaction generation ester 中国科学院大连化学物理研究所 2018-09-04 CN disclosed
CN-106810411-A A kind of method of acyl chlorides and 1,2- dichloroethanes reaction generation ester 中国科学院大连化学物理研究所 2017-06-09 CN disclosed
US-7276324-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-20050106500-A1 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2005-05-19 US disclosed
US-4198416-A 5-Alkoxy-picolinic esters and anti-hypertensive composition containing 5-alkoxy-picolinic esters MEIJI SEIKA KAISHA, LTD. (JP) 1980-04-15 US disclosed