SCHEMBL27469227

SCHEMBL27469227

Cc1c(C(=O)O)cccc1C(=O)O.ClCc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.44
HTR1A P08908 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TBXAS1 P24557 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DHODH Q02127 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL27535906 0.99 TAAR1 (0.43) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL28000193 0.84 TAAR1 (0.44) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27872180 0.82 TAAR1 (0.41) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27492811 0.82 TBXAS1 (0.49) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27850692 0.81 TBXAS1 (0.48) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL27679224 0.80 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2DHODHGAA
SCHEMBL28796350 0.80 KDM5A (0.44) TAAR1HTR1AKDM4EALDH1A1TBXAS1
SCHEMBL28198348 0.79 TBXAS1 (0.40) TAAR1HTR1AKDM4EALDH1A1TBXAS1
Methyl Alcohol SCHEMBL27696337 0.76
2-Picolinic Acid SCHEMBL16466535 0.75 LMNA (0.59) TAAR1KDM4EALDH1A1TBXAS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1107474-A Method for preparing tetrahydro-carbazolone derivative SIDA BIOLOG TECH I BEIJING (CN) 1995-08-30 CN disclosed