SCHEMBL11080332

SCHEMBL11080332

CC(=O)C1(COC(=O)NC(C)C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.37
CTSK P43235 8/20 0.36
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CETP P11597 1/20 0.33
LTA4H P09960 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11100968 0.85 HRH3 (0.39) MMECTSKCETP
SCHEMBL11071870 0.79 TSHR (0.30) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL9680322 0.78 CYP2C19 (0.38) TSHRLMNACETPCYP4F2CYP4A11
SCHEMBL11255126 0.78 MEN1 (0.50) ALDH1A1
SCHEMBL11255489 0.78 EPHX1 (0.47) MMETSHRALDH1A1
SCHEMBL11076820 0.76 CTSK (0.30) CTSK
SCHEMBL17032828 0.75 ACACB (0.38) CTSKTSHRLMNACYP3A4NFKB1
SCHEMBL11081471 0.75 ACHE (0.51)
SCHEMBL17050211 0.74 TSHR (0.36) MMECTSKTSHRLMNACYP3A4
SCHEMBL11080335 0.73 CTSK (0.39) CTSKTSHRLMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed