SCHEMBL11705334

SCHEMBL11705334

COC(=O)C(C)Nc1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
NLRP3 Q96P20 1/20 0.41
LMNA P02545 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CA14 Q9ULX7 1/20 0.38
ELANE P08246 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HTT P42858 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
Glycine SCHEMBL11336748 0.89 LMNA (0.46) TSHRRECQLALDH1A1PKMNLRP3
SCHEMBL8039768 0.81 MAPK1 (0.47) TSHRRECQLALDH1A1PKMNLRP3
SCHEMBL6264671 0.81 MAPK1 (0.47) TSHRRECQLALDH1A1PKMNLRP3
SCHEMBL1677057 0.81 MAPK1 (0.47) TSHRRECQLALDH1A1PKMNLRP3
SCHEMBL2775070 0.81 ALDH1A1 (0.46) TSHRALDH1A1LMNARAPGEF4FFAR4
SCHEMBL2775069 0.81 ALDH1A1 (0.46) TSHRALDH1A1LMNARAPGEF4FFAR4
SCHEMBL27243575 0.81 ALDH1A1 (0.46) TSHRALDH1A1PKMNLRP3LMNA
SCHEMBL3826518 0.81 ALDH1A1 (0.46) TSHRALDH1A1LMNARAPGEF4FFAR4
Glycine SCHEMBL11340461 0.80 LMNA (0.41) TSHRRECQLALDH1A1PKMNLRP3
Glycine SCHEMBL11346140 0.78 LMNA (0.45) TSHRALDH1A1NLRP3LMNAMEN1

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-4025648-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed