SCHEMBL6756342

SCHEMBL6756342

CC1=CC(c2ccccc2)C(c2ccccc2)C=C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAOA P21397 10/20 0.36
MAOB P27338 10/20 0.36
KDM1A O60341 8/20 0.36
CYP2C19 P33261 4/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL21727689 0.69 MAOB (0.39) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL31041077 0.63 HDAC4 (0.46) TSHRLMNAMAOAMAOBKDM1A
SCHEMBL2031804 0.63 HDAC4 (0.46) TSHRLMNAMAOAMAOBKDM1A
SCHEMBL9250732 0.63 CYP1A2 (0.42) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL3223717 0.63 CYP1A2 (0.42) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL30311727 0.63 RECQL (0.40) TSHRLMNAMAOAMAOBKDM1A
SCHEMBL11573778 0.63 TSHR (0.39) TSHRLMNAMAOAMAOBKDM1A
SCHEMBL23933243 0.61 GAA (0.54) LMNAHPGD
SCHEMBL8435497 0.61 MAOA (0.41) TSHRMAOAMAOBKDM1ACYP2C19
SCHEMBL30312236 0.61 MAOA (0.41) TSHRMAOAMAOBKDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004044015-A1 BLOCK COPOLYMER HAVING A HARD PHASE AND A SOFT PHASE KRATON POLYMERS RESEARCH B.V. (NL) 2004-05-27 WO disclosed
US-6699941-B1 SELECTIVELY HYDROGENATED; COMONOMERS COULD COMPRISE 1,3-BUTADIENE, ISOPRENE, 1,3-CYCLOHEXADIENE AND/OR STYRENE; CREEP RESISTANCE; DIAPERS KRATON POLYMERS U.S. LLC 2004-03-02 US disclosed
US-4237246-A DURABLE THERMOPLASTIC AND STABLE AT HIGH TEMPERATURES PHILLIPS PETROLEUM COMPANY (US) 1980-12-02 US disclosed
US-4223116-A CHARGING 1,3-BUTADIENE PRIOR TO 1,3-CYCLOHEXADIENE PHILLIPS PETROLEUM COMPANY (US) 1980-09-16 US disclosed
US-4179480-A Blends of cyclodiene-containing copolymers and block copolymers having improved high temperature green tensile strength PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 US disclosed
US-4138536-A ORGANOLITHIUM INITIATORS PHILLIPS PETROLEUM COMPANY (US) 1979-02-06 US disclosed
US-4131653-A COPOLYMER OF A 1,3-CYCLODIENE AND AN ACYCLIC CONJUGATED DIENE PHILLIPS PETROLEUM COMPANY (US) 1978-12-26 US disclosed
US-4127710-A Copolymerization of a 1,3-cyclodiene and a linear conjugated diene PHILLIPS PETROLEUM COMPANY (US) 1978-11-28 US disclosed