SCHEMBL23846180

SCHEMBL23846180

CCCCc1ccc(-c2nnc(-c3ccc(CCCC)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.72
UCHL3 P15374 2/20 0.61
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
AVPR1A P37288 1/20 0.53
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RARB P10826 1/20 0.44
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PSMB5 P28074 1/20 0.42

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
SCHEMBL27752152 0.97 HSD11B1 (0.73) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL195220 0.97 HSD11B1 (0.73) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL30784891 0.92 HSD11B1 (0.66) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL14975277 0.91 HSD11B1 (0.60) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL10111051 0.87 HSD11B1 (0.63) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL14533545 0.86 HSD11B1 (0.64) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL10035324 0.85 HSD11B1 (0.60) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL10035337 0.85 HSD11B1 (0.60) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL10110923 0.85 HSD11B1 (0.56) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A
SCHEMBL13804991 0.83 HSD11B1 (0.52) HSD11B1UCHL3HPGDSMN1; SMN2AVPR1A

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-20210296622-A1 LIGHT EMITTING FIBERS UNIV CALIFORNIA (US) 2021-09-23 US disclosed