SCHEMBL20138640

SCHEMBL20138640

CCCC(C)C(=O)Oc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ELANE P08246 4/20 0.43
ALDH1A1 P00352 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL22500350 0.90 ESR1 (0.49) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL28133278 0.89 LMNA (0.47) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL6913900 0.87 NR5A1 (0.50) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL6938745 0.87 NR5A1 (0.50) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL17882061 0.86 LMNA (0.48) SMN1; SMN2LMNAKDM4EELANEALDH1A1
SCHEMBL10359066 0.86 ELANE (0.46) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL97654 0.86 ELANE (0.46) ESR1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL17878586 0.85 SMN1; SMN2 (0.49) ESR1SMN1; SMN2KDM4EELANEALDH1A1
SCHEMBL15547810 0.85 ESR1 (0.54) ESR1SMN1; SMN2LMNAKDM4EELANE
SCHEMBL28010051 0.85 LMNA (0.45) TSHRSMN1; SMN2LMNACYP1A2CYP2C19

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
CN-106748714-A A kind of tetrabromobisphenol A derivative TBBPA DHEE synthesis of semiantigen and purposes 江苏大学 2017-05-31 CN claimed
WO-2022078524-A4 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
WO-2022078524-A2 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-04-21 WO disclosed
EP-3538080-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co. Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed
CN-106748714-A A kind of tetrabromobisphenol A derivative TBBPA DHEE synthesis of semiantigen and purposes 江苏大学 2017-05-31 CN disclosed
CN-106715138-A Linerless record material 普恩公司 2017-05-24 CN disclosed