Benzoic Acid

Benzoic Acid

SCHEMBL20597161

NCCCCCCNC=O.O=C(O)c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 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
Benzoic Acid SCHEMBL2969867 0.84 TSHR (0.64) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL164261 0.84 TSHR (0.64) DAOTSHRNAPRTCES2CES1
Benzoic Acid SCHEMBL986326 0.84 NAAA (0.59) TSHRNAAAHDAC3
Benzoic Acid SCHEMBL5547336 0.81 GRIN1 (0.47) DAOTSHRNAPRTGRIN1GRIN2A
Terephthalic Acid SCHEMBL337710 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL20240890 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL17835406 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL7046508 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL28803923 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1
Terephthalic Acid SCHEMBL6453701 0.80 TSHR (0.60) DAOTSHRNAPRTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746510-B1 USE OF POLYVALENT ALCOHOLS FOR INCREASING WELD LINE STRENGTH AFTER HEAT AGEING IN POLYAMIDES BASF SE (DE) 2024-01-31 — — EP disclosed
EP-3746510-A1 USE OF POLYHYRIC ALCOHOLS FOR INCREASING THE IMPACT STRENGTH OF A WELDING SEAM AFTER HEAT AGING IN POLYAMIDES BASF SE (DE) 2020-12-09 — — EP disclosed
EP-3728437-A1 POLYAMIDE MOULDING COMPOUNDS WITH IMPROVED OPTICAL PROPERTIES AND USE OF COLOURANTS THEREIN BASF SE (DE) 2020-10-28 — — EP disclosed
EP-3714004-A1 POLYAMIDE COMPOSITION FOR THE PRODUCTION OF WELDABLE MOULDED BODIES BASF SE (DE) 2020-09-30 — — EP disclosed
WO-2019149791-A1 USE OF POLYHYRIC ALCOHOLS FOR INCREASING THE IMPACT STRENGTH OF A WELDING SEAM AFTER HEAT AGING IN POLYAMIDES BASF SE (DE) 2019-08-08 — — WO disclosed
CN-105980469-B Polyolefin copolymer as toner in polyamide 巴斯夫欧洲公司 2019-03-12 — — CN disclosed
EP-3420033-A1 POLYAMIDE COMPOSITION WHICH IS DYED IN BLACK AND PRODUCTION AND USE THEREOF BASF SE (DE) 2019-01-02 — — EP disclosed
CN-105980469-A Polyolefin copolymers as color enhancers in polyamides 巴斯夫欧洲公司 2016-09-28 — — CN disclosed
Send feedback