SCHEMBL8640835

SCHEMBL8640835

CCC(C1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 2/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8348362 0.91 ALDH1A1 (0.42) HRH1ALDH1A1LMNATSHRUSP2
SCHEMBL8636037 0.90 PKM (0.51) ALDH1A1PKMCYP1A2L3MBTL1
SCHEMBL8641320 0.89 ALDH1A1 (0.52) HRH1ALDH1A1PKMCYP1A2L3MBTL1
SCHEMBL8639995 0.89 CYP3A4 (0.47) HRH1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL8355592 0.88 ALDH1A1 (0.51) HRH1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8353688 0.88 KDM4E (0.46) HRH1ALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL8636055 0.87 PKM (0.43) HRH1ALDH1A1PKMCYP1A2CYP3A4
SCHEMBL8640612 0.86 ALDH1A1 (0.41) HRH1ALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL8636579 0.85 TACR2 (0.46) HRH1CYP3A4
SCHEMBL8347206 0.85 TACR2 (0.51) HRH1

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
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed