SCHEMBL11540652

SCHEMBL11540652

O=C(C1CC1)N1CCC2CC(C1)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 5/20 0.46
HSD11B1 P28845 2/20 0.44
EPHX2 P34913 3/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
KEAP1 Q14145 1/20 0.42
LMNA P02545 2/20 0.41
CCR5 P51681 2/20 0.41
TP53 P04637 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12447952 0.81 RAB9A (0.61) ALDH1A1HSD11B1SMN1; SMN2HPGDLMNA
SCHEMBL12447336 0.76 CCR5 (0.61) ALDH1A1HSD11B1TSHRSMN1; SMN2HPGD
SCHEMBL12447948 0.76 CCR5 (0.61) MEN1KMT2AALDH1A1HSD11B1SMN1; SMN2
SCHEMBL19988362 0.73 HTR2B (0.64) ALDH1A1HSD11B1SMN1; SMN2CCR5TP53
SCHEMBL11178698 0.73 ALDH1A1 (0.58) ALDH1A1HSD11B1TSHRSMN1; SMN2HPGD
SCHEMBL20738593 0.73 KMT2A (0.48) MEN1KMT2AALDH1A1EPHX2CYP2C19
SCHEMBL12447717 0.72 NAMPT (0.57) ALDH1A1SMN1; SMN2HPGDLMNACCR5
SCHEMBL16785546 0.71 NPC1 (0.54) KMT2ATSHRSMN1; SMN2TP53NPC1
SCHEMBL5202689 0.70 HSD11B1 (0.67) ALDH1A1HSD11B1POLB
SCHEMBL10652514 0.70 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HSD11B1TSHR

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-4165371-A ANALGESICS RESEARCH CORPORATION (US) 1979-08-21 US disclosed