SCHEMBL3728181

SCHEMBL3728181

CCCCCCc1ccc(-c2c3cc4ccccc4cc3c(-c3ccc(CCCCCC)cc3)c3cc4ccccc4cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
HSD11B1 P28845 1/20 0.48
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47

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
SCHEMBL3724388 1.00 CTSV (0.49) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL3725156 0.93 HSD11B1 (0.47) CTSVCTSLHSD11B1TSHRTP53
SCHEMBL7913461 0.90 DHODH (0.48) CTSVCTSLHSD11B1TSHRESR1
SCHEMBL14373164 0.88 HSD11B1 (0.50) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL6059665 0.87 CTSV (0.49) CTSVCTSLHSD11B1HSD17B10TSHR
Anthracene SCHEMBL28891105 0.84 ESR1 (0.59) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL3689969 0.84 TSHR (0.44) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL28891102 0.82 TLR8 (0.48) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL28382831 0.82 TLR8 (0.48) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL27730560 0.82 TLR8 (0.48) CTSVCTSLHSD11B1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US claimed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed