SCHEMBL14415092

SCHEMBL14415092

CCCCCCO/C=C/C(=O)Oc1cc2c3cc(OC(=O)/C=C/OCCCCCC)c(OC(=O)/C=C/OCCCCCC)cc3c3cc(OC(=O)CCC(=O)Oc4cc5c6cc(OC(=O)/C=C/OCCCCCC)c(OC(=O)/C=C/OCCCCCC)cc6c6cc(OC(=O)/C=C/OCCCCCC)c(OC(=O)/C=C/OCCCCCC)cc6c5cc4OC(=O)/C=C/OCCCCCC)c(OC(=O)/C=C/OCCCCCC)cc3c2cc1OC(=O)/C=C/OCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.42
▸ TOP2A P11388 2/20 0.40
▸ POLM Q9NP87 2/20 0.38
▸ POLK Q9UBT6 2/20 0.38
▸ POLL Q9UGP5 2/20 0.38
▸ POLH Q9Y253 2/20 0.38
▸ APP P05067 3/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL14415074 0.93 HCAR2 (0.40) APPHCAR2AKR1C3AKR1C2THRA
SCHEMBL14415084 0.93 HCAR2 (0.40) APPHCAR2AKR1C3AKR1C2THRA
SCHEMBL14415075 0.93 HCAR2 (0.40) APPHCAR2AKR1C3AKR1C2THRA
SCHEMBL19999162 0.77 ALOX15 (0.59) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL6741191 0.76 ALOX15 (0.52) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL14415091 0.76 THRB (0.45) KDM4EMEN1KMT2ATHRB
SCHEMBL14415076 0.75 TSHR (0.49) APPTHRATHRB
SCHEMBL14282663 0.75 APP (0.40) APPHCAR2AKR1C3AKR1C2THRA
SCHEMBL14282661 0.74 HTR1A (0.45) ALOX15AKR1C3ELANEKDM4E
SCHEMBL14282664 0.74 HTR1A (0.45) ALOX15AKR1C3ELANEKDM4E

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-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
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