SCHEMBL13465631

SCHEMBL13465631

CCOc1ccc2ccccc2c1/C(=C/C(C)(C)C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AVPR1A P37288 2/20 0.42
▸ AVPR1B P47901 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ G6PD P11413 1/20 0.41
▸ HCRTR1 O43613 3/20 0.40
▸ HCRTR2 O43614 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL14089284 0.84 ALDH1A1 (0.46) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL12425992 0.77 ALDH1A1 (0.52) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL13466142 0.75 PLK1 (0.35) CXCR5ALDH1A1LMNARAB9AKDM4E
SCHEMBL13465633 0.75 IDO1 (0.32) CXCR5ALDH1A1KDM4EIDO1
SCHEMBL4539589 0.75 ALDH1A1 (0.60) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL503962 0.75 ALDH1A1 (0.61) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL14089567 0.75 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10KDM4EIDO1
SCHEMBL30393029 0.75 ALDH1A1 (0.61) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL10350165 0.74 ALDH1A1 (0.56) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL13447246 0.74 ALDH1A1 (0.59) CXCR5ALDH1A1LMNATSHRRAB9A

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
EP-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 — — EP disclosed
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