SCHEMBL8900699

SCHEMBL8900699

[CH]=CC(C)(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP2D6 P10635 2/20 0.48
LMNA P02545 1/20 0.48
TRPA1 O75762 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 3/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAOB P27338 1/20 0.37
FDPS P14324 1/20 0.36
CALM1 P0DP23 1/20 0.36
PRMT1 Q99873 1/20 0.35
RECQL P46063 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
SCHEMBL9427318 0.79 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL96457 0.77 TAAR1 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1072575 0.77 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28157264 0.76 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL11662934 0.75 SLC6A2 (0.45) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28964411 0.74 SLC6A2 (0.48) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL11253562 0.74 SLC6A2 (0.48) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL5753471 0.74 ALDH1A1 (0.50) SLC6A2TAAR1CYP2D6LMNACYP3A4
SCHEMBL5753481 0.74 ALDH1A1 (0.50) SLC6A2TAAR1CYP2D6LMNACYP3A4
SCHEMBL2487465 0.73 TAAR1 (0.73) SLC6A2TAAR1CYP2D6LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5675031-A 4-hydroxy-2-cyclopentenone derivatives and anticancer agent and bone formation accelerator containing the same TEIJIN LIMITED (JP) 1997-10-07 US disclosed
EP-0448726-B1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-04-24 EP disclosed
EP-0659728-A1 4-HYDROXY-2-CYCLOPENTENONE DERIVATIVE AND CARCINOSTATIC AND OSTEOGENESIS PROMOTER CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-06-28 EP disclosed
US-5338844-A 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient TEIJIN LIMITED (JP) 1994-08-16 US disclosed
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 US disclosed
EP-0448726-A1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-10-02 EP disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 US disclosed