SCHEMBL9066552

SCHEMBL9066552

CC(=Cc1ccccc1)C(C=CC#N)=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.38
MCL1 Q07820 1/20 0.38
HTT P42858 1/20 0.37
FBP1 P09467 1/20 0.36
DHODH Q02127 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL5481273 0.82 ALDH1A1 (0.53) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL152966 0.82 ALDH1A1 (0.53) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL27965576 0.80 ALDH1A1 (0.41) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL8466507 0.79 MCL1 (0.38) AKR1C3ALDH1A1TSHRNPC1RAB9A
Butadiene SCHEMBL2729309 0.76 ALDH1A1 (0.47) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL6061065 0.76 MCL1 (0.43) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL29885801 0.76 MCL1 (0.43) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL2549053 0.76 MCL1 (0.41) AKR1C3ALDH1A1TSHRNPC1RAB9A
Styrene SCHEMBL8466307 0.75 ALDH1A1 (0.47) AKR1C3ALDH1A1TSHRNPC1RAB9A
SCHEMBL364235 0.73 AKR1C3 (0.53) AKR1C3ALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016195601-A1 POLYMER COMPOSITIONS AND PROCESSES FOR PRODUCING THE SAME IRPC PUBLIC COMPANY LIMITED (TH) 2016-12-08 WO disclosed
EP-0447239-B1 Surface treating of polyphenylene ether thermoplastic shaped articles SUMITOMO CHEMICAL CO (JP) 1996-06-12 EP disclosed
EP-0305764-B1 High molecular weight polystyrene blends with PPE and HIPS GE CHEMICALS INC (US) 1994-02-23 EP disclosed
US-5223563-A Containing styrene resin and hygroscopic salt GENERAL ELECTRIC COMPANY (US) 1993-06-29 US disclosed
US-5143955-A High molecular weight; flame retarder; impact strength BORG-WARNER CHEMICALS, INC. (US) 1992-09-01 US disclosed
US-5139817-A Irradiating with ultraviolet light SUMITOMO CHEMICAL CO., LTD. (JP) 1992-08-18 US disclosed
EP-0476366-A2 Polyphenylene ether compositions of improved melt strength GENERAL ELECTRIC COMPANY (US) 1992-03-25 EP disclosed
EP-0447239-A2 Surface treating of polyphenylene ether thermoplastic shaped articles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
EP-0423602-A1 Antistatic PPE compositions and methods GENERAL ELECTRIC COMPANY (US) 1991-04-24 EP disclosed
EP-0372321-A1 Polyphenylene ether-high impact polystyrene blends GENERAL ELECTRIC COMPANY (US) 1990-06-13 EP disclosed
EP-0305764-A1 High molecular weight polystyrene blends with PPE and HIPS GE CHEMICALS, INC. (US) 1989-03-08 EP disclosed