SCHEMBL9417033

SCHEMBL9417033

O=C(O)C(=O)c1ccccc1CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
ADRB2 P07550 1/20 0.60
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.51
SCN1A P35498 4/20 0.49
SCN2A Q99250 4/20 0.49
SCN3A Q9NY46 4/20 0.49
MEN1 O00255 1/20 0.48
FOLH1 Q04609 1/20 0.47
FFAR1 O14842 1/20 0.47
KEAP1 Q14145 1/20 0.45

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
SCHEMBL166927 0.84 FOLH1 (0.66) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL29975597 0.84 FOLH1 (0.66) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL28403638 0.84 ALDH1A1 (0.64) ALDH1A1ADRB2HTTMAPTLMNA
Hydrochloric Acid SCHEMBL7699238 0.82 FOLH1 (0.63) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL8702953 0.82 FOLH1 (0.63) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL27393130 0.81 FOLH1 (0.47) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL7291408 0.81 ALDH1A1 (0.60) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL31497733 0.81 LMNA (0.65) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL940131 0.81 ALDH1A1 (0.60) ALDH1A1ADRB2HTTMAPTLMNA
SCHEMBL9806384 0.81 LMNA (0.65) ALDH1A1ADRB2HTTMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822682-B1 MICROCAPSULES AND USES THEREOF FIRMENICH & CIE (CH) 2017-04-26 EP claimed
CN-115175658-A Perfume system for perfumed consumer products 弗门尼舍有限公司 2022-10-11 CN disclosed
EP-2748208-B1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH & CIE (CH) 2016-06-22 EP disclosed
US-5315025-A Acrylate ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed