SCHEMBL8680548

SCHEMBL8680548

C=C(C(=C)c1ccccc1)c1ccccc1.O=C(N[Ti]1(C2CCC3C=CC=CC32)CC1)C1CCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 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
SCHEMBL8677256 0.85 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL8681372 0.85 HDAC8 (0.32) ALDH1A1
Butadiene SCHEMBL8677265 0.83 HDAC8 (0.32) HDAC3HDAC1HDAC2
SCHEMBL8677085 0.82 HPGD (0.37) HPGDKCNK3KCNK9ALDH1A1MTNR1A
SCHEMBL8679227 0.81
SCHEMBL8679309 0.79 ALDH1A1 (0.34) ALDH1A1RAB9AHTTLMNAELANE
SCHEMBL8678088 0.79
SCHEMBL9004286 0.78
SCHEMBL8679107 0.78
Butadiene SCHEMBL8678930 0.77 ALDH1A1 (0.32) HPGDALDH1A1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed