SCHEMBL8470288

SCHEMBL8470288

CCCS(=O)(=O)N1CCc2cc(OC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MTTP P55157 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ APOB P04114 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ AKR1C3 P42330 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
SCHEMBL8470841 0.95 EPHX2 (0.40) MAPTTSHRMTTPALDH1A1HDAC6
SCHEMBL8471802 0.81 ESR1 (0.49) MTTPALDH1A1HDAC6HPGDKMT2A
SCHEMBL8470752 0.81 ESR1 (0.43) TSHRMTTPALDH1A1LMNAKDM4E
SCHEMBL8473043 0.81 HDAC6 (0.42) MAPTALDH1A1HDAC6HPGDKMT2A
SCHEMBL8582518 0.80 ESR1 (0.44) MTTPALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL8471797 0.80 ESR1 (0.43) MTTPALDH1A1KMT2ALMNAKDM4E
SCHEMBL8474115 0.79 KDM4E (0.51) TSHRMTTPALDH1A1KDM4EESR1
SCHEMBL8474739 0.79 PRMT5 (0.40) MTTPALDH1A1HPGDKMT2ACD274
SCHEMBL8473518 0.79 MTTP (0.40) TSHRMTTPALDH1A1LMNAKDM4E
SCHEMBL8473578 0.79 ACACB (0.47) —

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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US claimed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
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