SCHEMBL27975686

SCHEMBL27975686

C[C@H](P)c1ccccc1.ClNCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 3/20 0.40
AOC3 Q16853 3/20 0.40
HTR2A P28223 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 2/20 0.40
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL941382 0.89
Hydrochloric Acid SCHEMBL9619438 0.87 TDP1 (0.48) TAAR1AOC3HTR2AKDM4ECYP2D6
Bromide SCHEMBL4970617 0.87 NOS2 (0.46) TAAR1AOC3HTR2AKDM4ECYP2D6
Iodide SCHEMBL10775392 0.87 KDM4E (0.44) TAAR1AOC3HTR2AKDM4ECYP2D6
SCHEMBL12672378 0.74 CYP3A4 (0.50) TSHRCYP2D6ALDH1A1CHRM2ADRA1A
SCHEMBL12975984 0.74 AOC3 (0.46) TAAR1AOC3HTR2AKDM4ECYP2D6
SCHEMBL3825477 0.74 CYP3A4 (0.50) TSHRCYP2D6ALDH1A1CHRM2ADRA1A
SCHEMBL12445112 0.74 CYP3A4 (0.50) TSHRCYP2D6ALDH1A1CHRM2ADRA1A
Hydrochloric Acid SCHEMBL11574029 0.72 AOC3 (0.45) TAAR1AOC3HTR2AKDM4ECYP2D6
SCHEMBL21296563 0.70 KDM4E (0.37) TAAR1AOC3HTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864192-A Function modified oligonucleotides and its subunit 萨勒普塔医疗公司 2018-11-23 CN disclosed
CN-104039739-A Functionally modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS INC 2014-09-10 CN disclosed