SCHEMBL7046382

SCHEMBL7046382

NC(=O)CC[C@H](NC=O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40

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
SCHEMBL8256369 0.89 FOLH1 (0.53) MMEECE1FOLH1TACR1ACE
SCHEMBL13996825 0.88 ALDH1A1 (0.48) POLBFOLH1TACR1KMT2AACE
SCHEMBL28222599 0.88 ALDH1A1 (0.48) POLBFOLH1TACR1KMT2AACE
SCHEMBL30689135 0.85 MME (0.47) POLBMMEECE1SMN1; SMN2KMT2A
SCHEMBL27793253 0.83 LTA4H (0.48) ECE1CTSLMMP2
SCHEMBL29682481 0.82 MME (0.56) MMEECE1SMN1; SMN2CTSLTACR1
SCHEMBL4919347 0.82 MME (0.56) MMEECE1SMN1; SMN2CTSLTACR1
SCHEMBL28993693 0.82 MME (0.56) MMEECE1SMN1; SMN2CTSLTACR1
SCHEMBL11036651 0.82 MME (0.46) POLBMMEECE1SMN1; SMN2KMT2A
SCHEMBL4919342 0.82 MME (0.56) MMEECE1SMN1; SMN2CTSLTACR1

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
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 — — EP claimed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 — — US claimed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 — — EP claimed
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 — — EP disclosed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 — — US disclosed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 — — US disclosed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 — — EP disclosed
Send feedback