SCHEMBL7909535

SCHEMBL7909535

CCCCc1ccc(-c2c3ccccc3c(-c3ccc(CCCC)cc3)c3cc4c(-c5ccc(CCCC)cc5)c5ccccc5c(-c5ccc(CCCC)cc5)c4cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
HSD11B1 P28845 2/20 0.49
DHODH Q02127 1/20 0.48
RARB P10826 2/20 0.45
PTPN1 P18031 2/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL7913461 0.92 DHODH (0.48) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL3725156 0.88 HSD11B1 (0.47) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL6830669 0.88 CTSV (0.45) CTSVCTSLHSD11B1DHODH
SCHEMBL3725185 0.87 HSD11B1 (0.50) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL5418521 0.82 CTSV (0.52) CTSVCTSLHSD11B1RARBHSD17B10
SCHEMBL14732227 0.82 CTSV (0.47) CTSVCTSLHSD11B1RARBHSD17B10
SCHEMBL13156610 0.82 DHODH (0.55) CTSVCTSLHSD11B1DHODHALDH1A1
SCHEMBL6059665 0.81 CTSV (0.49) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL29488276 0.81 DHODH (0.58) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL3728181 0.81 CTSV (0.49) CTSVCTSLHSD11B1RARBHSD17B10

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-6203933-B1 ELECTROLUMINESCENT ELEMENT WITH LIGHT EMITTER LAYER AND HOLE INJECTING AND TRANSPORTATING COMPOUND TDK CORPORATION (JP) 2001-03-20 US disclosed