SCHEMBL14893316

SCHEMBL14893316

CCCCCCCCCCCCCCCCc1cc(I)cc2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.49
▸ CTSL P07711 2/20 0.49
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ GABRE P78334 2/20 0.43
▸ GABRA6 Q16445 2/20 0.43
▸ GABRG1 Q8N1C3 2/20 0.43

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
SCHEMBL28131289 0.84 CTSV (0.49) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL27862470 0.83 CTSV (0.48) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL28281227 0.83 CTSV (0.46) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL6782310 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL15284714 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL1000879 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL9931700 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL1001995 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL30924833 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL29538538 0.81 CTSV (0.51) CTSVCTSLHSD17B10KDM4EALDH1A1

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
WO-2013063368-A1 FULLERENE SEPARATION THROUGH USE OF ORGANIC CAGES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-05-02 — — WO disclosed
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