SCHEMBL21516482

SCHEMBL21516482

CCCC(C)Pc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.36
AOC3 Q16853 2/20 0.35
FFAR1 O14842 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
TP53 P04637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ESR1 P03372 1/20 0.32
RIPK1 Q13546 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL30361741 0.89 HIF1A (0.35) SMN1; SMN2POLBSIGMAR1OPRM1RIPK1
SCHEMBL28241076 0.86 CSNK1E (0.39) POLBSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7558662 0.82 LMNA (0.38) SIGMAR1TP53TAAR1MAOASLC6A2
SCHEMBL3712831 0.80 AOC3 (0.36) SMN1; SMN2POLBAOC3FFAR1GPR84
SCHEMBL11427747 0.80 AOC3 (0.36) SMN1; SMN2POLBAOC3FFAR1GPR84
SCHEMBL3712992 0.79 TAAR1 (0.34) SMN1; SMN2SIGMAR1OPRM1OPRK1TAAR1
SCHEMBL27891571 0.79 ALDH1A1 (0.41) SIGMAR1MAOASLC6A2SLC6A3
SCHEMBL27891572 0.79 KMT2A (0.39) SMN1; SMN2RAB9AMAOASLC6A2SLC6A4
SCHEMBL27891531 0.79 SLC6A2 (0.35) SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL27908538 0.77 PPARG (0.42) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781279-B2 Pentablock copolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-09-22 US disclosed
US-20190322788-A1 PENTABLOCK COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2019-10-24 US disclosed
CN-102947319-B Method and tertiary phosphine for phosphine oxides is reduced into corresponding tertiary phosphine in the presence of a catalyst is used for reducing in the presence of a catalyst the purposes of phosphine oxides 克罗马福拉公司 2016-11-09 CN disclosed
CN-102947319-A A process for the reduction of a tertiary phosphine oxide to the corresponding tertiary phosphine in the presence of a catalyst and use of a tertiary phosphine for reducing a tertiary phosphine oxide in the presence of a catalyst CHROMAFORA AB 2013-02-27 CN disclosed