SCHEMBL9138666

SCHEMBL9138666

CC(C)CCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC3CCCCC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HTR1A P08908 1/20 0.46
NFKB1 P19838 1/20 0.46
CNR1 P21554 1/20 0.46
ADRA1A P35348 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL9140620 0.92 LMNA (0.47) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9142988 0.90 LMNA (0.47) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9141861 0.89 P4HTM (0.47) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9018019 0.88 LMNA (0.42) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9143265 0.88 P4HTM (0.48) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9138000 0.87 P4HTM (0.45) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9140324 0.86 P4HTM (0.46) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9138028 0.85 POLB (0.47) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9139699 0.85 MAPT (0.49) LMNACYP3A4MAPTCYP2C9TSHR
SCHEMBL9137254 0.85 MAPT (0.49) LMNACYP3A4MAPTCYP2C9TSHR

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed