SCHEMBL7075862

SCHEMBL7075862

CCCCCCCCCCCCc1ccc(-c2ccc3c4ccccc4c4c(-c5ccc(CCCCCCCCCCCC)cc5)c(-c5ccc(CCCCCCCCCCCC)cc5)c(-c5ccc(CCCCCCCCCCCC)cc5)c(-c5ccc(CCCCCCCCCCCC)cc5)c4c3c2-c2ccc(CCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
RARB P10826 6/20 0.41
HSD11B1 P28845 2/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL7077143 1.00 CTSV (0.45) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL7648614 0.82 LTA4H (0.44) CTSVCTSLRARBTSHRALDH1A1
SCHEMBL28263371 0.81 CTSV (0.38) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL27752304 0.80 CTSV (0.48) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL5418521 0.80 CTSV (0.52) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL16678699 0.76 HSD11B1 (0.63) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL10491604 0.76 HSD11B1 (0.55) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL10491901 0.76 HSD11B1 (0.55) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL19410763 0.74 HSD11B1 (0.43) CTSVCTSLRARBHSD11B1HSD17B10
SCHEMBL14314928 0.73 KDM4E (0.49) CTSVCTSLRARBHSD11B1HSD17B10

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
JP-2003516422-A 2003-05-13 JP claimed
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP claimed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO claimed