SCHEMBL8678698

SCHEMBL8678698

C=C(C)C(=C)C.O=C(N[Ti]1(C2C3C=CC=CC3C3CCCCC32)CC1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP1A2 P05177 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8677195 0.92 RAB9A (0.34) RAB9ANPC1ALDH1A1CYP1A2LMNA
SCHEMBL8677453 0.91 ADCY1 (0.32) RAB9ANPC1ALDH1A1CYP1A2LMNA
SCHEMBL8677085 0.81 HPGD (0.37) RAB9ANPC1ALDH1A1LMNACYP2C19
SCHEMBL8679309 0.80 ALDH1A1 (0.34) RAB9ANPC1ALDH1A1CYP1A2LMNA
SCHEMBL8677580 0.80 HDAC8 (0.30)
SCHEMBL8677633 0.78
SCHEMBL8678661 0.77
SCHEMBL8678558 0.76
SCHEMBL8463421 0.74 RAB9A (0.33) RAB9ANPC1ALDH1A1CYP1A2LMNA
SCHEMBL8678344 0.73

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