SCHEMBL10876362

SCHEMBL10876362

CC(C)=C1Cc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.70
▸ MAOA P21397 2/20 0.44
▸ BCHE P06276 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ RNASEH1 O60930 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP2 O95551 1/20 0.38

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
SCHEMBL7611787 0.83 ALDH1A1 (1.00) ALDH1A1MAOABCHECES1CYP1A2
SCHEMBL13528061 0.77 ALDH1A1 (0.55) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL3139239 0.74 MAOA (0.59) ALDH1A1MAOABCHECES1CYP1A2
SCHEMBL10046603 0.73 ALDH1A1 (0.55) ALDH1A1MAOABCHECES1KDM4E
Fluorene SCHEMBL11677474 0.71 MAOA (0.58) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL2131210 0.71 SRD5A2 (0.60) ALDH1A1MAOABCHECES1CYP1A2
SCHEMBL23790313 0.71 ALDH1A1 (0.73) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL29478468 0.70 MAOA (0.68) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL31388525 0.70 MAOA (0.68) ALDH1A1MAOABCHECES1CYP1A2
Fluorene SCHEMBL29355380 0.70 MAOA (0.68) ALDH1A1MAOABCHECES1CYP1A2

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
EP-0056271-B1 CARBOXYLIC ACID ESTERS AND INSECTICIDAL AND/OR ACARICIDAL COMPOSITIONS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-05-07 — — EP disclosed
US-4480118-A Carboxylic acid ester and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-30 — — US disclosed
EP-0056271-A2 Carboxylic acid esters and insecticidal and/or acaricidal compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-21 — — EP disclosed
Send feedback