SCHEMBL18083583

SCHEMBL18083583

CCCCc1ccc(-c2cc(-c3ccc(CCCC)cc3)cc(-c3cc(-c4cc(-c5ccc(CCCC)cc5)cc(-c5ccc(CCCC)cc5)c4)cc(N4c5ccc(C)cc5Oc5cc(C)ccc54)c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
RARB P10826 7/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
UCHL3 P15374 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL18083586 0.96 NPC1 (0.41) HSD11B1NPC1RAB9AATMRARB
SCHEMBL18083584 0.95 NPC1 (0.40) HSD11B1NPC1RAB9AATMRARB
SCHEMBL18083599 0.92 MGLL (0.34) NPC1RAB9AATMMGLLMAPT
SCHEMBL2607155 0.88 MGLL (0.42) HSD11B1NPC1RAB9AATMTP53
SCHEMBL18083576 0.87 HSD17B10 (0.34) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL18473079 0.86 TRPA1 (0.38) NPC1RAB9AATMFAAHMGLL
SCHEMBL12620346 0.85 HSD11B1 (0.42) HSD11B1RARBAKR1C2AKR1C1HRH3
SCHEMBL12620278 0.85 HSD11B1 (0.42) HSD11B1RARBAKR1C2AKR1C1HRH3
SCHEMBL18083582 0.84 P2RX4 (0.32) HSD11B1NPC1RAB9ATP53POLB
SCHEMBL11916914 0.84 MGLL (0.39) HSD11B1NPC1RAB9AATMTP53

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-2301983-B1 PHENOXAZINE POLYMERIC COMPOUND AND LIGHT-EMITTING ELEMENT COMPRISING SAME SUMITOMO CHEMICAL CO (JP) 2016-09-21 EP disclosed